NPASS Natural Product

Natural Product: NPC148192

Natural Product ID:	NPC148192
Common Name:	1,3-Dihydroxypropan-2-Yl (Z)-Octadec-9-Enoate
IUPAC Name:	1,3-dihydroxypropan-2-yl (Z)-octadec-9-enoate
Synonyms:
Molecular Formula:	C21H40O4
Standard InCHIKey:	UPWGQKDVAURUGE-KTKRTIGZSA-N
Standard InCHI:	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
Canonical SMILES:	CCCCCCCC/C=CCCCCCCCC(=O)OC(CO)CO
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO29510	Aulacocephalus temmincki	Species	Serranidae	Eukaryota		UNPD*
NPO29154	Heliotropium floridum	Species	Heliotropiaceae	Eukaryota		UNPD*
NPO1245	Eunicella cavolinii	Species	Gorgoniidae	Eukaryota		UNPD*
NPO29292	Teucrium depressum	Species	Lamiaceae	Eukaryota		UNPD*
NPO29450	Streptomyces parvisporogenes	Species	Streptomycetaceae	Bacteria		UNPD*
NPO29127	Cystophora scalaris	Species	Sargassaceae	Eukaryota		UNPD*
NPO29363	Aconitum nevadense	Species	Ranunculaceae	Eukaryota		UNPD*
NPO29068	Papilio phorcas	Species	Papilionidae	Eukaryota		UNPD*
NPO13818	Narcissus concolor	Species	Amaryllidaceae	Eukaryota		UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota		UNPD*
NPO27743	Aaptos aaptos	Species	Suberitidae	Eukaryota		UNPD*
NPO9157	Rubrivivax gelatinosus	Species	NA	Bacteria		UNPD*
NPO25981	Crinipellis scabella	Species	Marasmiaceae	Eukaryota		UNPD*
NPO29004	Ruta pinnata	Species	Rutaceae	Eukaryota		UNPD*
NPO3744	Polycephalomyces nipponicus	Species	Ophiocordycipitaceae	Eukaryota		UNPD*
NPO28971	Bersama yangambiensis	Species	Melianthaceae	Eukaryota		UNPD*
NPO29446	Stevia polycephala	Species	Asteraceae	Eukaryota		UNPD*
NPO27269	Annona impressivenia	Species	Annonaceae	Eukaryota		UNPD*
NPO29344	Parabenzoin trilobum	NA	NA	NA		UNPD*
NPO28949	Croton cumingii	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO29381	Trichilia rubescens	Species	Meliaceae	Eukaryota		UNPD*
NPO29400	Conocephalum japonicum	Species	Conocephalaceae	Eukaryota		UNPD*
NPO29225	Oncoba echinata	Species	Salicaceae	Eukaryota		UNPD*
NPO29488	Sophora angustifolia	Species	Fabaceae	Eukaryota		UNPD*
NPO26192	Cordylanthus kingii	Species	Orobanchaceae	Eukaryota		UNPD*
NPO29203	Gymnocarpium robertianum	Species	Cystopteridaceae	Eukaryota		UNPD*
NPO3340	Fridericia chica	Species	Bignoniaceae	Eukaryota		UNPD*
NPO375	Coicis semen	NA	NA	NA		TCMSP*
NPO29142	Kaunia saltensis	Species	Asteraceae	Eukaryota		UNPD*
NPO8230	Akebiae frucyus	NA	NA	NA		TCMSP*
NPO28864	Nauclea officinalis	Species	Rubiaceae	Eukaryota		UNPD*
NPO29189	Castanopsis sclerophylla	Species	Fagaceae	Eukaryota		UNPD*
NPO28918	Ophiolepis superba	Species	Ophiolepididae	Eukaryota		UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota		TCMID*
NPO29415	Hovenia acerba	Species	Rhamnaceae	Eukaryota		UNPD*
NPO28898	Grewia mollis	Species	Malvaceae	Eukaryota		UNPD*
NPO4055	Aspergillus unguis	Species	Aspergillaceae	Eukaryota		UNPD*
NPO8108.1	Citrullus lanatus subsp. vulgaris	Subspecies	Cucurbitaceae	Eukaryota		TCMID*
NPO28784	Alseodaphne corneri	Species	Lauraceae	Eukaryota		UNPD*
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota	blood	PMID[21359215]
NPO4244	Doodia picta	Species	Blechnaceae	Eukaryota		UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota		TCM_Taiwan*
NPO29276	Juglans nigra	Species	Juglandaceae	Eukaryota		UNPD*
NPO29047	Disynaphia halimifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO28805	Thymus piperella	Species	Lamiaceae	Eukaryota		UNPD*
NPO28845	Eragrostis viscosa	Species	Poaceae	Eukaryota		UNPD*
NPO28824	Forsteronia refracta	Species	Apocynaceae	Eukaryota		UNPD*
NPO29242	Salvia dorrii	Species	Lamiaceae	Eukaryota		UNPD*
NPO28937	Heterotheca grandiflora	Species	Asteraceae	Eukaryota		UNPD*
NPO29530	Kaempferia marginata	Species	Zingiberaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
Potency	14

Activity Type	# Activity
Individual Protein	2
Others	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Value	Unit	Reference
NPT2	Others	Unspecified		Potency	21872.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	43641.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	4855.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	7760.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	76958.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	24541.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	34665.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	68589.6	nM	PubChem BioAssay data set
NPT162	Individual Protein	Heat shock protein beta-1	Homo sapiens	Potency	48966.2	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	12299.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	3063.8	nM	PubChem BioAssay data set

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 NPC148192 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	81
0.1-0.2	985
0.2-0.3	4026
0.3-0.4	11947
0.4-0.5	5934
0.5-0.6	5883
0.6-0.7	1635
0.7-0.8	315
0.8-0.85	50
0.85-0.9	12
0.9-0.95	9
0.95-1	12

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC271921
1.0	High Similarity	NPC127091
1.0	High Similarity	NPC22101
1.0	High Similarity	NPC104537
1.0	High Similarity	NPC330426
0.9841	High Similarity	NPC48218
0.9841	High Similarity	NPC141481
0.9841	High Similarity	NPC473559
0.9841	High Similarity	NPC324981
0.9683	High Similarity	NPC475443
0.9683	High Similarity	NPC473829
0.9538	High Similarity	NPC476660
0.9385	High Similarity	NPC473772
0.9242	High Similarity	NPC42526
0.9118	High Similarity	NPC474321
0.9062	High Similarity	NPC476657
0.9062	High Similarity	NPC476654
0.9062	High Similarity	NPC476655
0.9048	High Similarity	NPC54925
0.9032	High Similarity	NPC81896
0.9032	High Similarity	NPC321919
0.8923	High Similarity	NPC476659
0.8923	High Similarity	NPC476656
0.8889	High Similarity	NPC321838
0.8889	High Similarity	NPC201939
0.8788	High Similarity	NPC26500
0.8788	High Similarity	NPC99619
0.873	High Similarity	NPC243532
0.8657	High Similarity	NPC273508
0.8657	High Similarity	NPC209327
0.8615	High Similarity	NPC476658
0.8615	High Similarity	NPC68343
0.8615	High Similarity	NPC328089
0.8485	Intermediate Similarity	NPC296436
0.8485	Intermediate Similarity	NPC176215
0.8358	Intermediate Similarity	NPC83965
0.8356	Intermediate Similarity	NPC11796
0.8356	Intermediate Similarity	NPC218817
0.8333	Intermediate Similarity	NPC49392
0.8333	Intermediate Similarity	NPC190400
0.8308	Intermediate Similarity	NPC320305
0.8308	Intermediate Similarity	NPC328776
0.8267	Intermediate Similarity	NPC236649
0.8267	Intermediate Similarity	NPC21693
0.8254	Intermediate Similarity	NPC323436
0.8235	Intermediate Similarity	NPC25298
0.8226	Intermediate Similarity	NPC128061
0.8226	Intermediate Similarity	NPC223677
0.8226	Intermediate Similarity	NPC28779
0.8226	Intermediate Similarity	NPC10316
0.8226	Intermediate Similarity	NPC200845
0.8209	Intermediate Similarity	NPC245947
0.8209	Intermediate Similarity	NPC136164
0.8209	Intermediate Similarity	NPC318420
0.8209	Intermediate Similarity	NPC326268
0.8209	Intermediate Similarity	NPC255863
0.8169	Intermediate Similarity	NPC470435
0.8095	Intermediate Similarity	NPC477201
0.8065	Intermediate Similarity	NPC261831
0.8065	Intermediate Similarity	NPC87564
0.8065	Intermediate Similarity	NPC469937
0.8065	Intermediate Similarity	NPC6095
0.8065	Intermediate Similarity	NPC320588
0.8065	Intermediate Similarity	NPC23155
0.8065	Intermediate Similarity	NPC32467
0.8065	Intermediate Similarity	NPC25417
0.8065	Intermediate Similarity	NPC281972
0.8065	Intermediate Similarity	NPC424
0.8065	Intermediate Similarity	NPC85813
0.8065	Intermediate Similarity	NPC154245
0.8065	Intermediate Similarity	NPC53463
0.8065	Intermediate Similarity	NPC290563
0.8065	Intermediate Similarity	NPC88966
0.806	Intermediate Similarity	NPC470320
0.8052	Intermediate Similarity	NPC473500
0.8052	Intermediate Similarity	NPC470313
0.8052	Intermediate Similarity	NPC38295
0.8052	Intermediate Similarity	NPC156089
0.8	Intermediate Similarity	NPC130618
0.8	Intermediate Similarity	NPC317583
0.8	Intermediate Similarity	NPC469747
0.8	Intermediate Similarity	NPC470436
0.8	Intermediate Similarity	NPC263574
0.7971	Intermediate Similarity	NPC473357
0.7971	Intermediate Similarity	NPC193029
0.7971	Intermediate Similarity	NPC478100
0.7937	Intermediate Similarity	NPC52264
0.7917	Intermediate Similarity	NPC325627
0.7903	Intermediate Similarity	NPC39633
0.7903	Intermediate Similarity	NPC309606
0.7903	Intermediate Similarity	NPC139029
0.7903	Intermediate Similarity	NPC36061
0.7903	Intermediate Similarity	NPC294548
0.7903	Intermediate Similarity	NPC70387
0.7903	Intermediate Similarity	NPC321062
0.7903	Intermediate Similarity	NPC1813
0.7903	Intermediate Similarity	NPC139545
0.7903	Intermediate Similarity	NPC71761
0.7895	Intermediate Similarity	NPC103634
0.7895	Intermediate Similarity	NPC200446
0.7879	Intermediate Similarity	NPC229252
0.7879	Intermediate Similarity	NPC143857
0.7838	Intermediate Similarity	NPC470899
0.7826	Intermediate Similarity	NPC478101
0.7821	Intermediate Similarity	NPC253801
0.7821	Intermediate Similarity	NPC178758
0.7821	Intermediate Similarity	NPC196102
0.7812	Intermediate Similarity	NPC18951
0.7794	Intermediate Similarity	NPC226592
0.7778	Intermediate Similarity	NPC137538
0.7778	Intermediate Similarity	NPC320119
0.7763	Intermediate Similarity	NPC209995
0.7761	Intermediate Similarity	NPC113293
0.7746	Intermediate Similarity	NPC143396
0.7742	Intermediate Similarity	NPC281245
0.7742	Intermediate Similarity	NPC92114
0.7733	Intermediate Similarity	NPC110813
0.7727	Intermediate Similarity	NPC274927
0.7727	Intermediate Similarity	NPC106851
0.7722	Intermediate Similarity	NPC163093
0.7714	Intermediate Similarity	NPC478097
0.7692	Intermediate Similarity	NPC211752
0.7692	Intermediate Similarity	NPC473780
0.7692	Intermediate Similarity	NPC323597
0.7692	Intermediate Similarity	NPC323498
0.7692	Intermediate Similarity	NPC65930
0.7692	Intermediate Similarity	NPC180363
0.7692	Intermediate Similarity	NPC145914
0.7692	Intermediate Similarity	NPC473529
0.7692	Intermediate Similarity	NPC94875
0.7692	Intermediate Similarity	NPC474252
0.7692	Intermediate Similarity	NPC131002
0.7692	Intermediate Similarity	NPC11332
0.7692	Intermediate Similarity	NPC73310
0.7692	Intermediate Similarity	NPC475159
0.7692	Intermediate Similarity	NPC329829
0.7692	Intermediate Similarity	NPC473712
0.7671	Intermediate Similarity	NPC326024
0.7656	Intermediate Similarity	NPC228473
0.7647	Intermediate Similarity	NPC29697
0.7632	Intermediate Similarity	NPC133377
0.7632	Intermediate Similarity	NPC469495
0.7625	Intermediate Similarity	NPC477014
0.7625	Intermediate Similarity	NPC120398
0.7625	Intermediate Similarity	NPC475206
0.7625	Intermediate Similarity	NPC471567
0.7625	Intermediate Similarity	NPC322529
0.7625	Intermediate Similarity	NPC477013
0.7612	Intermediate Similarity	NPC327112
0.7612	Intermediate Similarity	NPC328311
0.7595	Intermediate Similarity	NPC144415
0.7581	Intermediate Similarity	NPC262968
0.7568	Intermediate Similarity	NPC227396
0.7538	Intermediate Similarity	NPC187777
0.7538	Intermediate Similarity	NPC327388
0.7538	Intermediate Similarity	NPC179764
0.7531	Intermediate Similarity	NPC279267
0.7531	Intermediate Similarity	NPC69082
0.7531	Intermediate Similarity	NPC477015
0.7531	Intermediate Similarity	NPC309211
0.75	Intermediate Similarity	NPC325929
0.75	Intermediate Similarity	NPC9868
0.75	Intermediate Similarity	NPC477829
0.75	Intermediate Similarity	NPC156804
0.75	Intermediate Similarity	NPC66460
0.75	Intermediate Similarity	NPC40082
0.75	Intermediate Similarity	NPC271282
0.747	Intermediate Similarity	NPC39290
0.747	Intermediate Similarity	NPC159369
0.7467	Intermediate Similarity	NPC473948
0.7463	Intermediate Similarity	NPC470363
0.7439	Intermediate Similarity	NPC178215
0.7436	Intermediate Similarity	NPC47653
0.7429	Intermediate Similarity	NPC478099
0.7429	Intermediate Similarity	NPC478098
0.7424	Intermediate Similarity	NPC225929
0.7419	Intermediate Similarity	NPC59051
0.7419	Intermediate Similarity	NPC224227
0.7407	Intermediate Similarity	NPC329615
0.7407	Intermediate Similarity	NPC235809
0.7407	Intermediate Similarity	NPC319036
0.7407	Intermediate Similarity	NPC82795
0.7407	Intermediate Similarity	NPC107986
0.7407	Intermediate Similarity	NPC283085
0.7407	Intermediate Similarity	NPC1083
0.7407	Intermediate Similarity	NPC473669
0.7407	Intermediate Similarity	NPC110710
0.7407	Intermediate Similarity	NPC473671
0.7407	Intermediate Similarity	NPC39167
0.7407	Intermediate Similarity	NPC286338
0.7407	Intermediate Similarity	NPC475268
0.7407	Intermediate Similarity	NPC473156
0.7407	Intermediate Similarity	NPC103284
0.7407	Intermediate Similarity	NPC39279
0.7407	Intermediate Similarity	NPC25764
0.7407	Intermediate Similarity	NPC223871
0.7407	Intermediate Similarity	NPC77871
0.7407	Intermediate Similarity	NPC66346
0.7407	Intermediate Similarity	NPC202055
0.7407	Intermediate Similarity	NPC329838

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC148192 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	103
0.1-0.2	1827
0.2-0.3	3926
0.3-0.4	2241
0.4-0.5	680
0.5-0.6	298
0.6-0.7	61
0.7-0.8	18
0.8-0.85	6
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8906	High Similarity	NPD3197	Phase 1
0.8065	Intermediate Similarity	NPD3195	Phase 2
0.8065	Intermediate Similarity	NPD3194	Approved
0.8065	Intermediate Similarity	NPD3196	Approved
0.8065	Intermediate Similarity	NPD3730	Approved
0.8065	Intermediate Similarity	NPD4266	Approved
0.8065	Intermediate Similarity	NPD3728	Approved
0.7903	Intermediate Similarity	NPD3172	Approved
0.7846	Intermediate Similarity	NPD6109	Phase 1
0.7612	Intermediate Similarity	NPD4246	Clinical (unspecified phase)
0.7581	Intermediate Similarity	NPD28	Approved
0.7581	Intermediate Similarity	NPD29	Approved
0.7468	Intermediate Similarity	NPD6435	Approved
0.7375	Intermediate Similarity	NPD7154	Phase 3
0.7294	Intermediate Similarity	NPD7983	Approved
0.7258	Intermediate Similarity	NPD3173	Approved
0.7222	Intermediate Similarity	NPD4247	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD5790	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD5368	Approved
0.7176	Intermediate Similarity	NPD6698	Approved
0.7176	Intermediate Similarity	NPD46	Approved
0.7125	Intermediate Similarity	NPD5369	Approved
0.7097	Intermediate Similarity	NPD622	Approved
0.7097	Intermediate Similarity	NPD6125	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD5343	Approved
0.6962	Remote Similarity	NPD4268	Approved
0.6962	Remote Similarity	NPD4271	Approved
0.6962	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD5362	Discontinued
0.686	Remote Similarity	NPD6101	Approved
0.686	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD4269	Approved
0.6829	Remote Similarity	NPD4270	Approved
0.679	Remote Similarity	NPD4821	Approved
0.679	Remote Similarity	NPD4819	Approved
0.679	Remote Similarity	NPD4822	Approved
0.679	Remote Similarity	NPD4820	Approved
0.679	Remote Similarity	NPD4252	Approved
0.6774	Remote Similarity	NPD4222	Approved
0.6774	Remote Similarity	NPD39	Approved
0.6774	Remote Similarity	NPD3174	Discontinued
0.675	Remote Similarity	NPD3732	Approved
0.6706	Remote Similarity	NPD5786	Approved
0.6705	Remote Similarity	NPD6411	Approved
0.6629	Remote Similarity	NPD5779	Approved
0.6629	Remote Similarity	NPD5778	Approved
0.6628	Remote Similarity	NPD4251	Approved
0.6628	Remote Similarity	NPD4250	Approved
0.6613	Remote Similarity	NPD6097	Approved
0.6613	Remote Similarity	NPD2699	Approved
0.6613	Remote Similarity	NPD6096	Approved
0.6591	Remote Similarity	NPD7838	Discovery
0.6588	Remote Similarity	NPD5363	Approved
0.6512	Remote Similarity	NPD4249	Approved
0.6471	Remote Similarity	NPD3729	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD5326	Phase 3
0.642	Remote Similarity	NPD4756	Discovery
0.6413	Remote Similarity	NPD7839	Suspended
0.6404	Remote Similarity	NPD5785	Approved
0.64	Remote Similarity	NPD3704	Approved
0.6375	Remote Similarity	NPD8039	Approved
0.6353	Remote Similarity	NPD5332	Approved
0.6353	Remote Similarity	NPD5331	Approved
0.6322	Remote Similarity	NPD6422	Discontinued
0.631	Remote Similarity	NPD4790	Discontinued
0.6296	Remote Similarity	NPD818	Approved
0.6296	Remote Similarity	NPD819	Approved
0.6292	Remote Similarity	NPD5370	Suspended
0.6216	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6184	Remote Similarity	NPD7331	Phase 2
0.6184	Remote Similarity	NPD6108	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.6133	Remote Similarity	NPD7909	Approved
0.6129	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6129	Remote Similarity	NPD2270	Approved
0.6111	Remote Similarity	NPD585	Clinical (unspecified phase)
0.61	Remote Similarity	NPD6686	Approved
0.6087	Remote Similarity	NPD6399	Phase 3
0.6078	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6029	Remote Similarity	NPD6927	Phase 3
0.6023	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.6022	Remote Similarity	NPD7748	Approved
0.6	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6	Remote Similarity	NPD6083	Phase 2
0.6	Remote Similarity	NPD6084	Phase 2
0.598	Remote Similarity	NPD6371	Approved
0.598	Remote Similarity	NPD6421	Discontinued
0.5978	Remote Similarity	NPD7515	Phase 2
0.5978	Remote Similarity	NPD7637	Suspended
0.5938	Remote Similarity	NPD4225	Approved
0.5938	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.5914	Remote Similarity	NPD5781	Clinical (unspecified phase)
0.5909	Remote Similarity	NPD5766	Clinical (unspecified phase)
0.5895	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.5865	Remote Similarity	NPD8297	Approved
0.5846	Remote Similarity	NPD3199	Clinical (unspecified phase)
0.5844	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.5842	Remote Similarity	NPD6412	Phase 2
0.5833	Remote Similarity	NPD7902	Approved
0.5816	Remote Similarity	NPD5344	Discontinued
0.5814	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.5811	Remote Similarity	NPD3198	Approved
0.5806	Remote Similarity	NPD9448	Phase 2
0.5806	Remote Similarity	NPD633	Phase 3
0.5806	Remote Similarity	NPD9655	Approved
0.5795	Remote Similarity	NPD6110	Phase 1
0.5794	Remote Similarity	NPD6935	Phase 3
0.5794	Remote Similarity	NPD7115	Discovery
0.5794	Remote Similarity	NPD6936	Clinical (unspecified phase)
0.5789	Remote Similarity	NPD5695	Phase 3
0.5784	Remote Similarity	NPD6881	Approved
0.5784	Remote Similarity	NPD6899	Approved
0.5778	Remote Similarity	NPD7521	Approved
0.5778	Remote Similarity	NPD6684	Approved
0.5778	Remote Similarity	NPD7334	Approved
0.5778	Remote Similarity	NPD7146	Approved
0.5778	Remote Similarity	NPD6409	Approved
0.5778	Remote Similarity	NPD5330	Approved
0.575	Remote Similarity	NPD8277	Approved
0.5743	Remote Similarity	NPD6675	Approved
0.5743	Remote Similarity	NPD6402	Approved
0.5743	Remote Similarity	NPD5739	Approved
0.5743	Remote Similarity	NPD7128	Approved
0.5741	Remote Similarity	NPD6918	Phase 1
0.5741	Remote Similarity	NPD7641	Discontinued
0.573	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.573	Remote Similarity	NPD4786	Approved
0.5714	Remote Similarity	NPD7536	Approved
0.5714	Remote Similarity	NPD7798	Approved
0.5699	Remote Similarity	NPD8522	Clinical (unspecified phase)
0.5694	Remote Similarity	NPD4627	Clinical (unspecified phase)
0.5686	Remote Similarity	NPD5697	Approved
0.5684	Remote Similarity	NPD5282	Discontinued
0.5682	Remote Similarity	NPD3667	Approved
0.5682	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.5682	Remote Similarity	NPD5209	Approved
0.5673	Remote Similarity	NPD6883	Approved
0.5673	Remote Similarity	NPD7102	Approved
0.5673	Remote Similarity	NPD7290	Approved
0.5652	Remote Similarity	NPD6903	Approved
0.5652	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.5652	Remote Similarity	NPD6672	Approved
0.5652	Remote Similarity	NPD5737	Approved
0.5645	Remote Similarity	NPD3206	Approved
0.5641	Remote Similarity	NPD7341	Phase 2
0.5631	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.5631	Remote Similarity	NPD7320	Approved
0.5625	Remote Similarity	NPD8278	Approved
0.5619	Remote Similarity	NPD8130	Phase 1
0.5619	Remote Similarity	NPD6650	Approved
0.5619	Remote Similarity	NPD6869	Approved
0.5619	Remote Similarity	NPD6847	Approved
0.5619	Remote Similarity	NPD6617	Approved
0.5619	Remote Similarity	NPD6649	Approved
0.5616	Remote Similarity	NPD73	Approved
0.5612	Remote Similarity	NPD5696	Approved
0.5612	Remote Similarity	NPD7638	Approved

Structure

CID148192 OpenBabel06191715522D 25 24 0 0 0 0 0 0 0 0999 V2000 -11.2583 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2583 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5263 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5319879
ChEMBL	CHEMBL3182200
ZINC

Physicochemical Properties

Molecular Weight:	356.29
ALogP:	-3.1418
MLogP:	3.33
XLogP:	7.132
# Rotatable Bonds:	22
Polar Surface Area:	66.76
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	0
# Heavy Atoms:	25

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