NPASS Natural Product

Natural Product: NPC227260

Natural Product ID:	NPC227260
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C27H44O4
Standard InCHIKey:	FWCXELAAYFYCSR-RYKNUXCGSA-N
Standard InCHI:	InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1
Canonical SMILES:	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)C[C@H]([C@@H](C3)O)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO433	Geranium sibiricum	Species	Geraniaceae	Eukaryota	UNPD*
NPO23793	Morus lhou	Species	Moraceae	Eukaryota	UNPD*
NPO21310	Calliandra angustifolia	Species	Fabaceae	Eukaryota	UNPD*
NPO22604	Owenia cepiodora	Species	Meliaceae	Eukaryota	UNPD*
NPO22187	Ostrea virginica	Species	Ostreidae	Eukaryota	UNPD*
NPO23069	Marginisporum aberrans	Species	Corallinaceae	Eukaryota	UNPD*
NPO10809	Isaria farinosa	Species	Cordycipitaceae	Eukaryota	UNPD*
NPO19108	Arthrinium sacchari	Species	Apiosporaceae	Eukaryota	UNPD*
NPO6757	Thalictrum elegans	Species	Ranunculaceae	Eukaryota	UNPD*
NPO22578	Speranskia tuberculata	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO23742	Garcinia oliveri	Species	Clusiaceae	Eukaryota	UNPD*
NPO4582	Baphicacanthus cusia	Species	Acanthaceae	Eukaryota	UNPD*
NPO4593	Lagerstroemia indica	Species	Lythraceae	Eukaryota	UNPD*
NPO21080	Solanum lycopersicum	Species	Solanaceae	Eukaryota	UNPD*
NPO17819	Ferula transiliensis	Species	Apiaceae	Eukaryota	UNPD*
NPO20358	Streptomyces maritimus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO8338	Macrothelypteris oligophlebia	Species	Thelypteridaceae	Eukaryota	UNPD*
NPO19547	Juniperus macropoda	Species	Cupressaceae	Eukaryota	UNPD*
NPO14737	Trigonellae semen	NA	NA	NA	TCMSP*
NPO19070	Cassia dentata	Species	Fabaceae	Eukaryota	UNPD*
NPO21997	Benzoin trilobum	NA	NA	NA	UNPD*
NPO22938	Genista hystrix	Species	Fabaceae	Eukaryota	UNPD*
NPO2701	Dacrydium bidwillii	Species	Mytilidae	Eukaryota	UNPD*
NPO17092	Viguiera dentata	Species	Asteraceae	Eukaryota	UNPD*
NPO23319	Helipterum hyalospermum	Species	Asteraceae	Eukaryota	UNPD*
NPO22246	Aplidium longithorax	Species	Polyclinidae	Eukaryota	UNPD*
NPO6186	Aconitum pendulum	Species	Ranunculaceae	Eukaryota	UNPD*
NPO21106	Isatis costata	Species	Brassicaceae	Eukaryota	UNPD*
NPO15934	Rhododendron ponticum	Species	Ericaceae	Eukaryota	UNPD*
NPO22060	Hippomane mancinella	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO23475	Psoralea acaulis	Species	Fabaceae	Eukaryota	UNPD*
NPO7395	Tribulus terrestris	Species	Zygophyllaceae	Eukaryota	TM-MC*
NPO19920	Yucca gloriosa	Species	Asparagaceae	Eukaryota	UNPD*
NPO19380	Styela plicata	Species	Styelidae	Eukaryota	UNPD*
NPO22453	Befaria racemosa	NA	NA	NA	UNPD*
NPO19693	Lobaria oregana	Species	Lobariaceae	Eukaryota	UNPD*
NPO23056	Isaria japonica	Species	Cordycipitaceae	Eukaryota	UNPD*
NPO24579	Rhamnus procumbens	Species	Rhamnaceae	Eukaryota	UNPD*
NPO24764	Amphius huxleyi	NA	NA	NA	UNPD*
NPO2263	Croton megistocarpus	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO18197	Cadlina luteomarginata	Species	Chromodorididae	Eukaryota	UNPD*
NPO23176	Schefflera bodinieri	Species	Araliaceae	Eukaryota	UNPD*
NPO23612	Hoehnephytum imbricatum	Species	Asteraceae	Eukaryota	UNPD*
NPO23094	Pectinophora gossypiella	Species	Gelechiidae	Eukaryota	UNPD*
NPO17898	Buckiella undulata	Species	Hypnaceae	Eukaryota	UNPD*
NPO12005	Amomum zambesiacum	Species	Zingiberaceae	Eukaryota	UNPD*
NPO20042	Ambrosia cumanensis	Species	Asteraceae	Eukaryota	UNPD*
NPO20506	Batatas edulis	NA	NA	NA	UNPD*
NPO9972	Angostura granulosa	Species	Rutaceae	Eukaryota	UNPD*
NPO24292	Plagiochila porelloides	Species	Plagiochilaceae	Eukaryota	UNPD*
NPO18568	Artemisia aucheri	Species	Asteraceae	Eukaryota	UNPD*
NPO14211	Acinetobacter junii	Species	Moraxellaceae	Bacteria	UNPD*
NPO27833	Xerotus discolor	Species	Tricholomataceae	Eukaryota	UNPD*
NPO5203	Ulex minor	Species	Fabaceae	Eukaryota	UNPD*
NPO23133	Gypsophila patrini	Species	Caryophyllaceae	Eukaryota	UNPD*
NPO10574	Machilus thunbergii	Species	Lauraceae	Eukaryota	UNPD*
NPO17567	Blechnopsis orientalis	Species	Blechnaceae	Eukaryota	UNPD*
NPO21735	Clausena anisum-olens	Species	Rutaceae	Eukaryota	UNPD*
NPO4605	Silene villosa	Species	Caryophyllaceae	Eukaryota	UNPD*
NPO25227	Senecio roseus	Species	Asteraceae	Eukaryota	UNPD*
NPO22119	Echinops bannaticus	Species	Asteraceae	Eukaryota	UNPD*
NPO20182	Euonymus pendulus	Species	Celastraceae	Eukaryota	UNPD*
NPO22993	Veronica hederifolia	Species	Plantaginaceae	Eukaryota	UNPD*
NPO23367	Mylabris cichorii	Species	Meloidae	Eukaryota	UNPD*
NPO8075	Cacospongia scalaris	Species	Thorectidae	Eukaryota	UNPD*
NPO20677	Fraxinus angustifolia	Species	Oleaceae	Eukaryota	UNPD*
NPO22697	Licaria mahuba	Species	Lauraceae	Eukaryota	UNPD*
NPO21246	Helichrysum anomalum	Species	Asteraceae	Eukaryota	UNPD*
NPO5927	Cortinarius venetus	Species	Cortinariaceae	Eukaryota	UNPD*
NPO27508	Roldana ehrenbergiana	Species	Asteraceae	Eukaryota	UNPD*
NPO24051	Gymnomitrion concinnatum	Species	Gymnomitriaceae	Eukaryota	UNPD*
NPO24267	Paeonia veitchii	Species	Paeoniaceae	Eukaryota	UNPD*
NPO25174	Tychonema bornetii	Species	Microcoleaceae	Bacteria	UNPD*
NPO14100	Persea kusanoi	Species	Lauraceae	Eukaryota	UNPD*
NPO5936	Hosta montana	Species	Asparagaceae	Eukaryota	UNPD*
NPO20952	Dioscorea cirrhosa	Species	Dioscoreaceae	Eukaryota	UNPD*
NPO22881	Cryptotermes brevis	Species	Termitoidae	Eukaryota	UNPD*
NPO494	Cissampelos glaberrima	Species	Menispermaceae	Eukaryota	UNPD*
NPO17037	Dichapetalum toxicarium	Species	Dichapetalaceae	Eukaryota	UNPD*
NPO22321	Euphorbia lamprocarpa	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO14364	Alisma plantago-aquatica	Species	Alismataceae	Eukaryota	UNPD*
NPO7639	Senecio isatideus	Species	Asteraceae	Eukaryota	UNPD*
NPO7217	Plakobranchus ocellatus	Species	Placobranchidae	Eukaryota	UNPD*
NPO21874	Cercospora melonis	Species	Mycosphaerellaceae	Eukaryota	UNPD*
NPO24670	Casearia lucida	Species	Salicaceae	Eukaryota	UNPD*
NPO20032	Prunus sibirica	Species	Rosaceae	Eukaryota	UNPD*
NPO22326	Daphnopsis racemosa	Species	Thymelaeaceae	Eukaryota	UNPD*
NPO8210	Trigonella foenum-graecum	Species	Fabaceae	Eukaryota	UNPD*
NPO8463	Brickellia arguta	Species	Asteraceae	Eukaryota	UNPD*
NPO22631	Actinopolyspora erythraea	Species	Actinopolysporaceae	Bacteria	UNPD*
NPO24961	Teucrium lucidum	Species	Lamiaceae	Eukaryota	UNPD*
NPO21635	Pandalus borealis	Species	Pandalidae	Eukaryota	UNPD*
NPO22909	Echinogorgia flora	Species	Paramuriceidae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	4

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT87	Organism	Aspergillus fumigatus	Aspergillus fumigatus	Inhibition	<	25	%	21489791
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	Inhibition	<	25	%	21489791
NPT554	Organism	Candida glabrata	Candida glabrata	Inhibition	<	25	%	21489791
NPT20	Organism	Candida albicans	Candida albicans	Inhibition	<	25	%	21489791

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC227260 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	227
0.1-0.2	2295
0.2-0.3	7236
0.3-0.4	10242
0.4-0.5	4399
0.5-0.6	3680
0.6-0.7	1951
0.7-0.8	639
0.8-0.85	88
0.85-0.9	120
0.9-0.95	10
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9873	High Similarity	NPC273290
0.9873	High Similarity	NPC232044
0.9494	High Similarity	NPC296734
0.9487	High Similarity	NPC248944
0.9487	High Similarity	NPC7479
0.9487	High Similarity	NPC257296
0.925	High Similarity	NPC470611
0.9176	High Similarity	NPC5632
0.9176	High Similarity	NPC149966
0.9059	High Similarity	NPC473542
0.9048	High Similarity	NPC128475
0.9036	High Similarity	NPC471240
0.8966	High Similarity	NPC113500
0.8966	High Similarity	NPC294686
0.8966	High Similarity	NPC477224
0.8966	High Similarity	NPC222731
0.8966	High Similarity	NPC3538
0.8941	High Similarity	NPC473472
0.8941	High Similarity	NPC20822
0.8941	High Similarity	NPC228059
0.8929	High Similarity	NPC210658
0.8929	High Similarity	NPC161928
0.8851	High Similarity	NPC141769
0.8851	High Similarity	NPC297348
0.8851	High Similarity	NPC234352
0.8851	High Similarity	NPC250393
0.8851	High Similarity	NPC88962
0.8851	High Similarity	NPC167644
0.8851	High Similarity	NPC149400
0.8851	High Similarity	NPC48339
0.8851	High Similarity	NPC249204
0.8851	High Similarity	NPC477451
0.8851	High Similarity	NPC311246
0.8851	High Similarity	NPC477547
0.8851	High Similarity	NPC177834
0.8851	High Similarity	NPC325828
0.8851	High Similarity	NPC144790
0.8837	High Similarity	NPC223143
0.8824	High Similarity	NPC281004
0.8764	High Similarity	NPC121453
0.8764	High Similarity	NPC473601
0.8764	High Similarity	NPC195297
0.875	High Similarity	NPC312678
0.875	High Similarity	NPC174024
0.875	High Similarity	NPC24960
0.875	High Similarity	NPC291203
0.875	High Similarity	NPC475436
0.875	High Similarity	NPC252253
0.875	High Similarity	NPC217205
0.875	High Similarity	NPC179859
0.875	High Similarity	NPC30687
0.875	High Similarity	NPC291547
0.875	High Similarity	NPC253268
0.875	High Similarity	NPC175
0.875	High Similarity	NPC471464
0.875	High Similarity	NPC473774
0.875	High Similarity	NPC264101
0.875	High Similarity	NPC473851
0.875	High Similarity	NPC45959
0.875	High Similarity	NPC131693
0.8736	High Similarity	NPC59006
0.8736	High Similarity	NPC293609
0.8721	High Similarity	NPC82955
0.8721	High Similarity	NPC102725
0.869	High Similarity	NPC290612
0.8675	High Similarity	NPC470070
0.8667	High Similarity	NPC470862
0.8667	High Similarity	NPC232611
0.8667	High Similarity	NPC477223
0.8667	High Similarity	NPC51520
0.8667	High Similarity	NPC83137
0.8667	High Similarity	NPC303069
0.8667	High Similarity	NPC477222
0.8667	High Similarity	NPC115165
0.8667	High Similarity	NPC470861
0.8652	High Similarity	NPC473610
0.8652	High Similarity	NPC6295
0.8652	High Similarity	NPC107962
0.8652	High Similarity	NPC475351
0.8652	High Similarity	NPC474399
0.8652	High Similarity	NPC206003
0.8652	High Similarity	NPC473065
0.8652	High Similarity	NPC19400
0.8652	High Similarity	NPC107188
0.8652	High Similarity	NPC473727
0.8652	High Similarity	NPC211354
0.8652	High Similarity	NPC473067
0.8652	High Similarity	NPC473064
0.8636	High Similarity	NPC122083
0.8636	High Similarity	NPC211845
0.8636	High Similarity	NPC256104
0.8636	High Similarity	NPC277774
0.8636	High Similarity	NPC182740
0.8636	High Similarity	NPC476669
0.8621	High Similarity	NPC65550
0.8621	High Similarity	NPC279329
0.8571	High Similarity	NPC473638
0.8571	High Similarity	NPC291548
0.8571	High Similarity	NPC473518
0.8556	High Similarity	NPC470865
0.8556	High Similarity	NPC142264
0.8556	High Similarity	NPC476510
0.8556	High Similarity	NPC139271
0.8556	High Similarity	NPC97700
0.8556	High Similarity	NPC232037
0.8556	High Similarity	NPC160426
0.8556	High Similarity	NPC184617
0.8556	High Similarity	NPC116756
0.8556	High Similarity	NPC128572
0.8556	High Similarity	NPC287483
0.8556	High Similarity	NPC84111
0.8556	High Similarity	NPC103616
0.8556	High Similarity	NPC30856
0.8556	High Similarity	NPC132080
0.8556	High Similarity	NPC470863
0.8556	High Similarity	NPC98018
0.8556	High Similarity	NPC284104
0.8556	High Similarity	NPC156377
0.8556	High Similarity	NPC475643
0.8556	High Similarity	NPC475625
0.8556	High Similarity	NPC304011
0.8556	High Similarity	NPC470866
0.8556	High Similarity	NPC470864
0.8539	High Similarity	NPC475325
0.8523	High Similarity	NPC473830
0.8523	High Similarity	NPC204881
0.8523	High Similarity	NPC307167
0.8523	High Similarity	NPC210759
0.8523	High Similarity	NPC473637
0.8523	High Similarity	NPC476668
0.8523	High Similarity	NPC36372
0.8523	High Similarity	NPC229801
0.8488	Intermediate Similarity	NPC140446
0.8488	Intermediate Similarity	NPC43912
0.8462	Intermediate Similarity	NPC470028
0.8462	Intermediate Similarity	NPC274200
0.8462	Intermediate Similarity	NPC307534
0.8462	Intermediate Similarity	NPC233649
0.8462	Intermediate Similarity	NPC475207
0.8462	Intermediate Similarity	NPC476112
0.8444	Intermediate Similarity	NPC92196
0.8427	Intermediate Similarity	NPC137004
0.8427	Intermediate Similarity	NPC473726
0.8427	Intermediate Similarity	NPC172838
0.8427	Intermediate Similarity	NPC161035
0.8395	Intermediate Similarity	NPC64081
0.8395	Intermediate Similarity	NPC474574
0.8387	Intermediate Similarity	NPC477225
0.837	Intermediate Similarity	NPC473616
0.8354	Intermediate Similarity	NPC470610
0.8353	Intermediate Similarity	NPC474156
0.8352	Intermediate Similarity	NPC473287
0.8333	Intermediate Similarity	NPC309866
0.8333	Intermediate Similarity	NPC305418
0.8333	Intermediate Similarity	NPC475388
0.8333	Intermediate Similarity	NPC473503
0.8298	Intermediate Similarity	NPC52585
0.8298	Intermediate Similarity	NPC228049
0.8298	Intermediate Similarity	NPC68630
0.8295	Intermediate Similarity	NPC131466
0.828	Intermediate Similarity	NPC470030
0.8276	Intermediate Similarity	NPC472396
0.8272	Intermediate Similarity	NPC163597
0.8256	Intermediate Similarity	NPC266651
0.825	Intermediate Similarity	NPC48795
0.8242	Intermediate Similarity	NPC469710
0.8242	Intermediate Similarity	NPC305808
0.8193	Intermediate Similarity	NPC477282
0.8193	Intermediate Similarity	NPC81074
0.8191	Intermediate Similarity	NPC108227
0.8191	Intermediate Similarity	NPC476512
0.8191	Intermediate Similarity	NPC475574
0.8191	Intermediate Similarity	NPC472081
0.8171	Intermediate Similarity	NPC192046
0.8171	Intermediate Similarity	NPC128951
0.8171	Intermediate Similarity	NPC133596
0.8171	Intermediate Similarity	NPC302578
0.8171	Intermediate Similarity	NPC105208
0.8171	Intermediate Similarity	NPC477227
0.8171	Intermediate Similarity	NPC11907
0.8152	Intermediate Similarity	NPC238796
0.8152	Intermediate Similarity	NPC203434
0.8152	Intermediate Similarity	NPC237071
0.8152	Intermediate Similarity	NPC296936
0.8148	Intermediate Similarity	NPC231680
0.8148	Intermediate Similarity	NPC91387
0.8148	Intermediate Similarity	NPC317242
0.8148	Intermediate Similarity	NPC270306
0.814	Intermediate Similarity	NPC320824
0.8125	Intermediate Similarity	NPC153719
0.8105	Intermediate Similarity	NPC114700
0.8105	Intermediate Similarity	NPC134967
0.8105	Intermediate Similarity	NPC470029
0.8105	Intermediate Similarity	NPC310138
0.8101	Intermediate Similarity	NPC251201
0.8101	Intermediate Similarity	NPC63588
0.8101	Intermediate Similarity	NPC232925
0.8072	Intermediate Similarity	NPC18857
0.8072	Intermediate Similarity	NPC67657
0.8065	Intermediate Similarity	NPC210157

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC227260 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	263
0.1-0.2	3520
0.2-0.3	3672
0.3-0.4	1047
0.4-0.5	327
0.5-0.6	248
0.6-0.7	73
0.7-0.8	8
0.8-0.85	1
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9487	High Similarity	NPD6928	Phase 2
0.8851	High Similarity	NPD8171	Discontinued
0.8043	Intermediate Similarity	NPD7991	Discontinued
0.7938	Intermediate Similarity	NPD8170	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD4267	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD4787	Phase 1
0.7045	Intermediate Similarity	NPD6697	Approved
0.7045	Intermediate Similarity	NPD6118	Approved
0.7045	Intermediate Similarity	NPD6115	Approved
0.7045	Intermediate Similarity	NPD6114	Approved
0.7	Intermediate Similarity	NPD7516	Approved
0.6932	Remote Similarity	NPD6116	Phase 1
0.6909	Remote Similarity	NPD7327	Approved
0.6909	Remote Similarity	NPD7328	Approved
0.6818	Remote Similarity	NPD6117	Approved
0.6786	Remote Similarity	NPD8294	Approved
0.6786	Remote Similarity	NPD8377	Approved
0.6782	Remote Similarity	NPD1810	Approved
0.6782	Remote Similarity	NPD1811	Approved
0.6782	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD6412	Phase 2
0.6744	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD8379	Approved
0.6726	Remote Similarity	NPD8033	Approved
0.6726	Remote Similarity	NPD8378	Approved
0.6726	Remote Similarity	NPD8296	Approved
0.6726	Remote Similarity	NPD8380	Approved
0.6726	Remote Similarity	NPD8335	Approved
0.6697	Remote Similarity	NPD8133	Approved
0.6628	Remote Similarity	NPD7532	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD4244	Approved
0.6628	Remote Similarity	NPD4245	Approved
0.6577	Remote Similarity	NPD6940	Discontinued
0.6542	Remote Similarity	NPD8174	Phase 2
0.6522	Remote Similarity	NPD7525	Registered
0.6517	Remote Similarity	NPD3702	Approved
0.6517	Remote Similarity	NPD3703	Phase 2
0.6512	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD3698	Phase 2
0.6506	Remote Similarity	NPD371	Approved
0.6496	Remote Similarity	NPD7507	Approved
0.6437	Remote Similarity	NPD2687	Approved
0.6437	Remote Similarity	NPD2254	Approved
0.6437	Remote Similarity	NPD2686	Approved
0.6364	Remote Similarity	NPD5777	Approved
0.6348	Remote Similarity	NPD6059	Approved
0.6348	Remote Similarity	NPD6054	Approved
0.6333	Remote Similarity	NPD7319	Approved
0.633	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.63	Remote Similarity	NPD8034	Phase 2
0.63	Remote Similarity	NPD8035	Phase 2
0.6293	Remote Similarity	NPD7503	Approved
0.625	Remote Similarity	NPD4789	Approved
0.625	Remote Similarity	NPD7736	Approved
0.625	Remote Similarity	NPD7638	Approved
0.6239	Remote Similarity	NPD6370	Approved
0.6207	Remote Similarity	NPD5360	Phase 3
0.6207	Remote Similarity	NPD5361	Clinical (unspecified phase)
0.619	Remote Similarity	NPD7640	Approved
0.619	Remote Similarity	NPD7639	Approved
0.6186	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD6016	Approved
0.6154	Remote Similarity	NPD6015	Approved
0.6146	Remote Similarity	NPD3670	Clinical (unspecified phase)
0.6146	Remote Similarity	NPD3669	Approved
0.6134	Remote Similarity	NPD7492	Approved
0.6132	Remote Similarity	NPD1700	Approved
0.6102	Remote Similarity	NPD5988	Approved
0.6087	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6083	Remote Similarity	NPD6616	Approved
0.6075	Remote Similarity	NPD7632	Discontinued
0.6061	Remote Similarity	NPD7524	Approved
0.605	Remote Similarity	NPD6067	Discontinued
0.6048	Remote Similarity	NPD8449	Approved
0.6047	Remote Similarity	NPD3171	Clinical (unspecified phase)
0.604	Remote Similarity	NPD6700	Approved
0.604	Remote Similarity	NPD6701	Clinical (unspecified phase)
0.6033	Remote Similarity	NPD8293	Discontinued
0.6033	Remote Similarity	NPD7078	Approved
0.6	Remote Similarity	NPD4748	Discontinued
0.6	Remote Similarity	NPD8450	Suspended
0.6	Remote Similarity	NPD6081	Approved
0.5984	Remote Similarity	NPD6033	Approved
0.598	Remote Similarity	NPD6702	Approved
0.598	Remote Similarity	NPD6703	Approved
0.5978	Remote Similarity	NPD6942	Approved
0.5978	Remote Similarity	NPD7339	Approved
0.596	Remote Similarity	NPD8308	Discontinued
0.5957	Remote Similarity	NPD3671	Phase 1
0.5948	Remote Similarity	NPD6009	Approved
0.5948	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.5918	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.59	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.5895	Remote Similarity	NPD7645	Phase 2
0.5877	Remote Similarity	NPD6882	Approved
0.5856	Remote Similarity	NPD7646	Clinical (unspecified phase)
0.5843	Remote Similarity	NPD6705	Phase 1
0.5826	Remote Similarity	NPD4632	Approved
0.5824	Remote Similarity	NPD4758	Discontinued
0.5816	Remote Similarity	NPD6695	Phase 3
0.5816	Remote Similarity	NPD4788	Approved
0.5804	Remote Similarity	NPD6686	Approved
0.5804	Remote Similarity	NPD7320	Approved
0.5804	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.5795	Remote Similarity	NPD4224	Phase 2
0.5789	Remote Similarity	NPD4802	Phase 2
0.5789	Remote Similarity	NPD5364	Discontinued
0.5789	Remote Similarity	NPD4238	Approved
0.5769	Remote Similarity	NPD6399	Phase 3
0.5766	Remote Similarity	NPD5739	Approved
0.5766	Remote Similarity	NPD6008	Approved
0.5766	Remote Similarity	NPD7128	Approved
0.5766	Remote Similarity	NPD6402	Approved
0.5766	Remote Similarity	NPD6675	Approved
0.5745	Remote Similarity	NPD6933	Approved
0.5741	Remote Similarity	NPD8418	Phase 2
0.5726	Remote Similarity	NPD7754	Approved
0.5726	Remote Similarity	NPD7755	Approved
0.5704	Remote Similarity	NPD7625	Phase 1
0.5688	Remote Similarity	NPD4159	Approved
0.5676	Remote Similarity	NPD4057	Clinical (unspecified phase)
0.5676	Remote Similarity	NPD4056	Clinical (unspecified phase)
0.5667	Remote Similarity	NPD6319	Approved
0.5664	Remote Similarity	NPD6881	Approved
0.5664	Remote Similarity	NPD6899	Approved
0.5663	Remote Similarity	NPD2267	Suspended
0.5656	Remote Similarity	NPD8328	Phase 3
0.5652	Remote Similarity	NPD4243	Approved
0.5625	Remote Similarity	NPD6920	Discontinued
0.5619	Remote Similarity	NPD4202	Approved
0.5614	Remote Similarity	NPD6373	Approved
0.5614	Remote Similarity	NPD6372	Approved
0.5614	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.5612	Remote Similarity	NPD1780	Approved
0.5612	Remote Similarity	NPD1779	Approved
0.5603	Remote Similarity	NPD8297	Approved
0.56	Remote Similarity	NPD4786	Approved

Structure

CID227260 OpenBabel06191716022D 31 36 0 0 1 0 0 0 0 0999 V2000 3.5827 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3104 -2.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 -3.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1181 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -3.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -2.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9581 -3.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2798 -4.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -0.7834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -1.5668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1186 -2.7195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4391 -1.7511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4397 -2.7204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5994 -1.2669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9584 -4.1720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1192 -4.6572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9209 -0.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9209 -1.2676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7607 -1.7518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2795 -3.2046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5692 -0.7834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8246 -4.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -5.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 0.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 25 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 20 1 0 0 0 0 13 22 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 1 1 6 0 0 0 16 24 1 0 0 0 0 16 27 1 1 0 0 0 17 26 1 6 0 0 0 18 6 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 26 1 6 0 0 0 20 25 1 6 0 0 0 21 22 1 0 0 0 0 21 28 1 6 0 0 0 22 29 1 1 0 0 0 23 12 1 6 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 1 6 0 0 0 25 3 1 6 0 0 0 26 4 1 6 0 0 0 27 10 1 6 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	441887
ChEMBL	CHEMBL1770687
ZINC

Physicochemical Properties

Molecular Weight:	432.32
ALogP:	0.1181
MLogP:	3.99
XLogP:	6.494
# Rotatable Bonds:	6
Polar Surface Area:	58.92
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	6
# Heavy Atoms:	31

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