NPASS Natural Product

Natural Product: NPC279887

Natural Product ID:	NPC279887
Common Name:	(2E,6E)-1-(2,5-Dihydroxy-3-Methylphenyl)-3,7,11-Trimethyldodeca-2,6,10-Trien-5-One
IUPAC Name:	(2E,6E)-1-(2,5-dihydroxy-3-methylphenyl)-3,7,11-trimethyldodeca-2,6,10-trien-5-one
Synonyms:
Molecular Formula:	C22H30O3
Standard InCHIKey:	GRTPGCZAKYXPOK-KGRMTDPISA-N
Standard InCHI:	InChI=1S/C22H30O3/c1-15(2)7-6-8-16(3)11-20(23)12-17(4)9-10-19-14-21(24)13-18(5)22(19)25/h7,9,11,13-14,24-25H,6,8,10,12H2,1-5H3/b16-11+,17-9+
Canonical SMILES:	C/C(=CC(=O)C/C(=C/Cc1cc(O)cc(c1O)C)/C)/CCC=C(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO8863	Cystoseira crinita	Species	Sargassaceae	Eukaryota				PMID[12880316]

Biological Activity

Activity Type	# Activity
Others	11

Activity Type	# Activity
Others	11

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Inhibition	=	43.1	%	1379639
NPT1	Others	Radical scavenging activity	Activity	=	94.1	%	22676269
NPT2	Others	Unspecified	Inhibition	=	22.2	%	21885167
NPT2	Others	Unspecified	Inhibition	=	9.2	%	19564371
NPT2	Others	Unspecified	Inhibition	=	66.8	%	10395498
NPT1	Others	Radical scavenging activity	Activity	=	59.1	%	15332848
NPT2	Others	Unspecified	Inhibition	=	19.8	%	PubChem BioAssay data set
NPT1	Others	Radical scavenging activity	Activity	=	11.2	%	25918997
NPT1	Others	Radical scavenging activity	Activity	=	3.7	%	25871261
NPT1	Others	Radical scavenging activity	Activity	=	2.6	%	19904919
NPT1	Others	Radical scavenging activity	Activity	=	29.8	%	19856955

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 NPC279887 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	158
0.1-0.2	1018
0.2-0.3	2149
0.3-0.4	6893
0.4-0.5	7244
0.5-0.6	5207
0.6-0.7	6862
0.7-0.8	1176
0.8-0.85	146
0.85-0.9	25
0.9-0.95	5
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC68260
0.9901	High Similarity	NPC282855
0.9901	High Similarity	NPC26013
0.9804	High Similarity	NPC208229
0.9524	High Similarity	NPC296144
0.9524	High Similarity	NPC28784
0.9434	High Similarity	NPC474114
0.9434	High Similarity	NPC473931
0.9434	High Similarity	NPC474050
0.9252	High Similarity	NPC114918
0.9118	High Similarity	NPC108497
0.8972	High Similarity	NPC228609
0.8962	High Similarity	NPC98392
0.8932	High Similarity	NPC269212
0.8922	High Similarity	NPC248396
0.8922	High Similarity	NPC48730
0.8922	High Similarity	NPC129373
0.8911	High Similarity	NPC152097
0.8857	High Similarity	NPC469913
0.8839	High Similarity	NPC476020
0.8835	High Similarity	NPC477685
0.8824	High Similarity	NPC260775
0.8738	High Similarity	NPC70677
0.8738	High Similarity	NPC130756
0.8738	High Similarity	NPC12931
0.8727	High Similarity	NPC197513
0.8725	High Similarity	NPC475078
0.8704	High Similarity	NPC471535
0.8696	High Similarity	NPC49441
0.8667	High Similarity	NPC272029
0.8661	High Similarity	NPC269414
0.8585	High Similarity	NPC47284
0.8522	High Similarity	NPC474175
0.8515	High Similarity	NPC29373
0.8505	High Similarity	NPC155072
0.8505	High Similarity	NPC53740
0.8491	Intermediate Similarity	NPC93831
0.8482	Intermediate Similarity	NPC240163
0.8476	Intermediate Similarity	NPC80800
0.8455	Intermediate Similarity	NPC469912
0.8426	Intermediate Similarity	NPC228737
0.8426	Intermediate Similarity	NPC320439
0.8411	Intermediate Similarity	NPC243677
0.8411	Intermediate Similarity	NPC303141
0.8407	Intermediate Similarity	NPC477453
0.8378	Intermediate Similarity	NPC302371
0.8378	Intermediate Similarity	NPC286222
0.835	Intermediate Similarity	NPC222146
0.8333	Intermediate Similarity	NPC306884
0.8333	Intermediate Similarity	NPC94139
0.8333	Intermediate Similarity	NPC319422
0.8333	Intermediate Similarity	NPC147284
0.8333	Intermediate Similarity	NPC477212
0.8333	Intermediate Similarity	NPC477211
0.8333	Intermediate Similarity	NPC477214
0.8333	Intermediate Similarity	NPC54765
0.8333	Intermediate Similarity	NPC162314
0.8333	Intermediate Similarity	NPC3358
0.8333	Intermediate Similarity	NPC210497
0.8319	Intermediate Similarity	NPC131799
0.8318	Intermediate Similarity	NPC475580
0.8317	Intermediate Similarity	NPC192
0.8305	Intermediate Similarity	NPC477153
0.8304	Intermediate Similarity	NPC242136
0.8302	Intermediate Similarity	NPC12221
0.83	Intermediate Similarity	NPC19680
0.8291	Intermediate Similarity	NPC154696
0.8288	Intermediate Similarity	NPC470770
0.8288	Intermediate Similarity	NPC266937
0.8288	Intermediate Similarity	NPC77772
0.8257	Intermediate Similarity	NPC34715
0.825	Intermediate Similarity	NPC295202
0.825	Intermediate Similarity	NPC49647
0.825	Intermediate Similarity	NPC227741
0.825	Intermediate Similarity	NPC306765
0.825	Intermediate Similarity	NPC136342
0.8241	Intermediate Similarity	NPC138942
0.8241	Intermediate Similarity	NPC117115
0.8235	Intermediate Similarity	NPC190086
0.8235	Intermediate Similarity	NPC147896
0.8235	Intermediate Similarity	NPC276962
0.823	Intermediate Similarity	NPC41851
0.8224	Intermediate Similarity	NPC471228
0.8224	Intermediate Similarity	NPC235762
0.8224	Intermediate Similarity	NPC470202
0.8214	Intermediate Similarity	NPC177962
0.8214	Intermediate Similarity	NPC98372
0.8214	Intermediate Similarity	NPC62867
0.8208	Intermediate Similarity	NPC225506
0.8208	Intermediate Similarity	NPC72729
0.8208	Intermediate Similarity	NPC130103
0.8208	Intermediate Similarity	NPC174911
0.8198	Intermediate Similarity	NPC132720
0.8197	Intermediate Similarity	NPC59654
0.819	Intermediate Similarity	NPC77492
0.819	Intermediate Similarity	NPC6597
0.819	Intermediate Similarity	NPC473767
0.819	Intermediate Similarity	NPC79241
0.819	Intermediate Similarity	NPC474073
0.8182	Intermediate Similarity	NPC95344
0.8182	Intermediate Similarity	NPC470039
0.8174	Intermediate Similarity	NPC160199
0.8167	Intermediate Similarity	NPC477213
0.8158	Intermediate Similarity	NPC161304
0.8151	Intermediate Similarity	NPC273683
0.8151	Intermediate Similarity	NPC275145
0.8148	Intermediate Similarity	NPC475225
0.8148	Intermediate Similarity	NPC288411
0.8142	Intermediate Similarity	NPC190212
0.8131	Intermediate Similarity	NPC472585
0.8131	Intermediate Similarity	NPC252105
0.813	Intermediate Similarity	NPC196621
0.813	Intermediate Similarity	NPC163169
0.813	Intermediate Similarity	NPC123
0.8125	Intermediate Similarity	NPC54373
0.8119	Intermediate Similarity	NPC27974
0.8113	Intermediate Similarity	NPC33675
0.8113	Intermediate Similarity	NPC252821
0.8113	Intermediate Similarity	NPC299762
0.8113	Intermediate Similarity	NPC122005
0.8113	Intermediate Similarity	NPC128723
0.8108	Intermediate Similarity	NPC471954
0.8108	Intermediate Similarity	NPC473524
0.8108	Intermediate Similarity	NPC75272
0.8103	Intermediate Similarity	NPC41567
0.8099	Intermediate Similarity	NPC474944
0.8095	Intermediate Similarity	NPC312132
0.8095	Intermediate Similarity	NPC259512
0.8091	Intermediate Similarity	NPC233320
0.8091	Intermediate Similarity	NPC474352
0.8091	Intermediate Similarity	NPC151477
0.8087	Intermediate Similarity	NPC69539
0.8083	Intermediate Similarity	NPC199273
0.8083	Intermediate Similarity	NPC474237
0.8077	Intermediate Similarity	NPC245187
0.8077	Intermediate Similarity	NPC76938
0.8077	Intermediate Similarity	NPC289769
0.8077	Intermediate Similarity	NPC152415
0.8073	Intermediate Similarity	NPC37802
0.8067	Intermediate Similarity	NPC477151
0.8067	Intermediate Similarity	NPC282577
0.8067	Intermediate Similarity	NPC132518
0.8058	Intermediate Similarity	NPC231150
0.8058	Intermediate Similarity	NPC204210
0.8056	Intermediate Similarity	NPC168829
0.8056	Intermediate Similarity	NPC233827
0.8053	Intermediate Similarity	NPC26615
0.8053	Intermediate Similarity	NPC228988
0.8051	Intermediate Similarity	NPC190971
0.8051	Intermediate Similarity	NPC259703
0.8051	Intermediate Similarity	NPC32322
0.8049	Intermediate Similarity	NPC271832
0.8039	Intermediate Similarity	NPC70436
0.8037	Intermediate Similarity	NPC211885
0.8033	Intermediate Similarity	NPC471530
0.8033	Intermediate Similarity	NPC95034
0.8033	Intermediate Similarity	NPC142087
0.802	Intermediate Similarity	NPC307235
0.802	Intermediate Similarity	NPC407
0.8019	Intermediate Similarity	NPC88420
0.8019	Intermediate Similarity	NPC260000
0.8018	Intermediate Similarity	NPC224584
0.8017	Intermediate Similarity	NPC187993
0.8017	Intermediate Similarity	NPC238176
0.8	Intermediate Similarity	NPC118253
0.8	Intermediate Similarity	NPC70843
0.8	Intermediate Similarity	NPC144682
0.8	Intermediate Similarity	NPC477152
0.8	Intermediate Similarity	NPC8392
0.8	Intermediate Similarity	NPC95178
0.8	Intermediate Similarity	NPC251549
0.8	Intermediate Similarity	NPC201662
0.8	Intermediate Similarity	NPC246679
0.8	Intermediate Similarity	NPC471187
0.8	Intermediate Similarity	NPC12640
0.8	Intermediate Similarity	NPC32714
0.8	Intermediate Similarity	NPC257182
0.8	Intermediate Similarity	NPC29989
0.8	Intermediate Similarity	NPC99836
0.8	Intermediate Similarity	NPC69332
0.8	Intermediate Similarity	NPC473718
0.8	Intermediate Similarity	NPC21594
0.7982	Intermediate Similarity	NPC261573
0.7982	Intermediate Similarity	NPC8931
0.7982	Intermediate Similarity	NPC162113
0.7982	Intermediate Similarity	NPC62546
0.7982	Intermediate Similarity	NPC218879
0.7982	Intermediate Similarity	NPC227458
0.7982	Intermediate Similarity	NPC244513
0.7982	Intermediate Similarity	NPC130817
0.7982	Intermediate Similarity	NPC120693
0.7981	Intermediate Similarity	NPC181709
0.7981	Intermediate Similarity	NPC55903
0.7967	Intermediate Similarity	NPC476024
0.7966	Intermediate Similarity	NPC478121
0.7965	Intermediate Similarity	NPC4493
0.7965	Intermediate Similarity	NPC165770
0.7965	Intermediate Similarity	NPC95716
0.7965	Intermediate Similarity	NPC476632
0.7965	Intermediate Similarity	NPC275627

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC279887 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	176
0.1-0.2	932
0.2-0.3	1204
0.3-0.4	2594
0.4-0.5	2366
0.5-0.6	1325
0.6-0.7	495
0.7-0.8	63
0.8-0.85	5
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8558	High Similarity	NPD289	Clinical (unspecified phase)
0.835	Intermediate Similarity	NPD844	Approved
0.8214	Intermediate Similarity	NPD7635	Approved
0.8155	Intermediate Similarity	NPD845	Approved
0.8095	Intermediate Similarity	NPD288	Approved
0.8	Intermediate Similarity	NPD1809	Phase 2
0.7881	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7845	Intermediate Similarity	NPD6671	Approved
0.783	Intermediate Similarity	NPD2859	Approved
0.783	Intermediate Similarity	NPD2860	Approved
0.7788	Intermediate Similarity	NPD4750	Phase 3
0.7778	Intermediate Similarity	NPD3020	Approved
0.7736	Intermediate Similarity	NPD2934	Approved
0.7736	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD2933	Approved
0.7686	Intermediate Similarity	NPD1201	Approved
0.7667	Intermediate Similarity	NPD3019	Approved
0.7667	Intermediate Similarity	NPD2932	Approved
0.7667	Intermediate Similarity	NPD4626	Approved
0.7636	Intermediate Similarity	NPD940	Approved
0.7636	Intermediate Similarity	NPD846	Approved
0.7627	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7611	Intermediate Similarity	NPD2342	Discontinued
0.7603	Intermediate Similarity	NPD3496	Discontinued
0.7557	Intermediate Similarity	NPD2935	Discontinued
0.7478	Intermediate Similarity	NPD3022	Approved
0.7478	Intermediate Similarity	NPD3021	Approved
0.744	Intermediate Similarity	NPD1470	Approved
0.7411	Intermediate Similarity	NPD9500	Approved
0.7379	Intermediate Similarity	NPD111	Approved
0.7368	Intermediate Similarity	NPD1444	Approved
0.7368	Intermediate Similarity	NPD1445	Approved
0.736	Intermediate Similarity	NPD6696	Suspended
0.735	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD497	Approved
0.7295	Intermediate Similarity	NPD5691	Approved
0.7241	Intermediate Similarity	NPD74	Approved
0.7241	Intermediate Similarity	NPD9266	Approved
0.7227	Intermediate Similarity	NPD1398	Phase 1
0.7227	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD496	Approved
0.7227	Intermediate Similarity	NPD495	Approved
0.7227	Intermediate Similarity	NPD498	Approved
0.719	Intermediate Similarity	NPD7340	Approved
0.719	Intermediate Similarity	NPD9493	Approved
0.7188	Intermediate Similarity	NPD4208	Discontinued
0.7179	Intermediate Similarity	NPD1792	Phase 2
0.7165	Intermediate Similarity	NPD1164	Approved
0.7155	Intermediate Similarity	NPD9267	Approved
0.7155	Intermediate Similarity	NPD9264	Approved
0.7155	Intermediate Similarity	NPD9263	Approved
0.7143	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1755	Approved
0.7143	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD4207	Discontinued
0.709	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD1242	Phase 1
0.7073	Intermediate Similarity	NPD3091	Approved
0.7054	Intermediate Similarity	NPD5736	Approved
0.705	Intermediate Similarity	NPD7390	Discontinued
0.704	Intermediate Similarity	NPD3026	Approved
0.704	Intermediate Similarity	NPD3023	Approved
0.7031	Intermediate Similarity	NPD2797	Approved
0.703	Intermediate Similarity	NPD9088	Approved
0.7016	Intermediate Similarity	NPD1651	Approved
0.7016	Intermediate Similarity	NPD3024	Approved
0.7016	Intermediate Similarity	NPD3025	Approved
0.7009	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD1611	Approved
0.6978	Remote Similarity	NPD3300	Phase 2
0.6977	Remote Similarity	NPD2798	Approved
0.6967	Remote Similarity	NPD256	Approved
0.6967	Remote Similarity	NPD255	Approved
0.696	Remote Similarity	NPD4589	Approved
0.696	Remote Similarity	NPD1778	Approved
0.696	Remote Similarity	NPD4059	Approved
0.6949	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD2229	Approved
0.6942	Remote Similarity	NPD2234	Approved
0.6942	Remote Similarity	NPD2228	Approved
0.6935	Remote Similarity	NPD5304	Approved
0.6935	Remote Similarity	NPD5303	Approved
0.6935	Remote Similarity	NPD1759	Phase 1
0.6935	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD7330	Discontinued
0.6923	Remote Similarity	NPD2861	Phase 2
0.6923	Remote Similarity	NPD4212	Discontinued
0.6923	Remote Similarity	NPD968	Approved
0.6917	Remote Similarity	NPD228	Approved
0.6917	Remote Similarity	NPD4060	Phase 1
0.6917	Remote Similarity	NPD943	Approved
0.6912	Remote Similarity	NPD5406	Approved
0.6912	Remote Similarity	NPD5408	Approved
0.6912	Remote Similarity	NPD5405	Approved
0.6912	Remote Similarity	NPD5404	Approved
0.6911	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD9273	Approved
0.6894	Remote Similarity	NPD2313	Discontinued
0.6894	Remote Similarity	NPD3268	Approved
0.6885	Remote Similarity	NPD9614	Approved
0.6885	Remote Similarity	NPD1791	Approved
0.6885	Remote Similarity	NPD1793	Approved
0.6885	Remote Similarity	NPD9618	Approved
0.688	Remote Similarity	NPD4093	Discontinued
0.688	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD4749	Approved
0.6861	Remote Similarity	NPD2346	Discontinued
0.6855	Remote Similarity	NPD1758	Phase 1
0.6855	Remote Similarity	NPD5536	Phase 2
0.685	Remote Similarity	NPD3092	Approved
0.6842	Remote Similarity	NPD6663	Approved
0.6838	Remote Similarity	NPD2799	Discontinued
0.6835	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD2286	Discontinued
0.6822	Remote Similarity	NPD1283	Approved
0.6818	Remote Similarity	NPD4625	Phase 3
0.6812	Remote Similarity	NPD2424	Discontinued
0.681	Remote Similarity	NPD1930	Approved
0.681	Remote Similarity	NPD1929	Approved
0.681	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.681	Remote Similarity	NPD9261	Approved
0.68	Remote Similarity	NPD9545	Approved
0.6797	Remote Similarity	NPD2233	Approved
0.6797	Remote Similarity	NPD2232	Approved
0.6797	Remote Similarity	NPD2230	Approved
0.6788	Remote Similarity	NPD6099	Approved
0.6788	Remote Similarity	NPD6100	Approved
0.6783	Remote Similarity	NPD3028	Approved
0.6774	Remote Similarity	NPD7636	Approved
0.6772	Remote Similarity	NPD3143	Discontinued
0.6769	Remote Similarity	NPD3094	Phase 2
0.6761	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD9610	Approved
0.6752	Remote Similarity	NPD9608	Approved
0.6752	Remote Similarity	NPD1237	Approved
0.6748	Remote Similarity	NPD5951	Approved
0.6748	Remote Similarity	NPD9281	Approved
0.6721	Remote Similarity	NPD9379	Approved
0.6721	Remote Similarity	NPD9377	Approved
0.672	Remote Similarity	NPD9616	Approved
0.672	Remote Similarity	NPD9613	Approved
0.672	Remote Similarity	NPD9615	Approved
0.672	Remote Similarity	NPD7644	Approved
0.6719	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD422	Phase 1
0.6719	Remote Similarity	NPD1535	Discovery
0.6718	Remote Similarity	NPD258	Approved
0.6718	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD257	Approved
0.6715	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD8166	Discontinued
0.6696	Remote Similarity	NPD2066	Phase 3
0.6696	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6693	Remote Similarity	NPD3095	Discontinued
0.6693	Remote Similarity	NPD1751	Approved
0.6667	Remote Similarity	NPD1608	Approved
0.6667	Remote Similarity	NPD9717	Approved
0.6667	Remote Similarity	NPD2237	Approved
0.6667	Remote Similarity	NPD1240	Approved
0.6667	Remote Similarity	NPD9269	Phase 2
0.6667	Remote Similarity	NPD1241	Discontinued
0.6667	Remote Similarity	NPD3070	Discontinued
0.6667	Remote Similarity	NPD1481	Phase 2
0.6667	Remote Similarity	NPD2684	Approved
0.6667	Remote Similarity	NPD316	Approved
0.6643	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6642	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6641	Remote Similarity	NPD2688	Clinical (unspecified phase)
0.6641	Remote Similarity	NPD3847	Discontinued
0.664	Remote Similarity	NPD9568	Approved
0.6639	Remote Similarity	NPD3134	Approved
0.6636	Remote Similarity	NPD9295	Approved
0.6634	Remote Similarity	NPD9087	Approved
0.6622	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD2344	Approved
0.6618	Remote Similarity	NPD447	Suspended
0.6617	Remote Similarity	NPD600	Approved
0.6617	Remote Similarity	NPD596	Approved
0.6614	Remote Similarity	NPD5585	Approved
0.6614	Remote Similarity	NPD9268	Approved
0.6613	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD2629	Approved
0.6596	Remote Similarity	NPD7003	Approved
0.6589	Remote Similarity	NPD1281	Approved
0.6585	Remote Similarity	NPD1138	Approved
0.6583	Remote Similarity	NPD290	Approved
0.6577	Remote Similarity	NPD9256	Approved
0.6577	Remote Similarity	NPD9258	Approved
0.6575	Remote Similarity	NPD3226	Approved
0.6574	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD1607	Approved
0.6567	Remote Similarity	NPD7095	Approved
0.6565	Remote Similarity	NPD3225	Approved
0.656	Remote Similarity	NPD709	Approved
0.6557	Remote Similarity	NPD9280	Clinical (unspecified phase)
0.6555	Remote Similarity	NPD9697	Approved

Structure

NPC279887 OpenBabel07101718202D 25 25 0 0 0 0 0 0 0 0999 V2000 0.0000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -8.5000 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 -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 1.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -5.5000 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 1.7321 -4.0000 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 -0.8660 1.5000 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 0.8660 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -4.5000 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 -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 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 19 1 0 0 0 0 11 16 2 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 18 1 0 0 0 0 13 21 2 0 0 0 0 14 19 2 0 0 0 0 14 21 1 0 0 0 0 18 22 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11724956
ChEMBL	CHEMBL461275
ZINC

Physicochemical Properties

Molecular Weight:	342.22
ALogP:	3.4095
MLogP:	3.55
XLogP:	4.193
# Rotatable Bonds:	15
Polar Surface Area:	57.53
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	1
# Heavy Atoms:	25

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