NPASS Natural Product

Natural Product: NPC83279

Natural Product ID:	NPC83279
Common Name:	Botryllamide E
IUPAC Name:	(Z)-3-(4-hydroxyphenyl)-2-methoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]prop-2-enamide
Synonyms:	Botryllamide E
Molecular Formula:	C19H19NO4
Standard InCHIKey:	UTKOJODVAGSUTD-FEYWXZCKSA-N
Standard InCHI:	InChI=1S/C19H19NO4/c1-23-17-9-5-14(6-10-17)11-12-20-19(22)18(24-2)13-15-3-7-16(21)8-4-15/h3-13,21H,1-2H3,(H,20,22)/b12-11+,18-13-
Canonical SMILES:	CO/C(=Cc1ccc(cc1)O)/C(=N/C=C/c1ccc(cc1)OC)O
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
NPO17784	Botrylloides tyreum	Species	Styelidae	Eukaryota				PMID[15217298]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	1
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1422	Individual Protein	ATP-binding cassette sub-family G member 2	Homo sapiens	IC50	=	23300	nM	21131198
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	30000	nM	26169123
NPT1422	Individual Protein	ATP-binding cassette sub-family G member 2	Homo sapiens	IC50	=	41400	nM	24119555

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 NPC83279 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	99
0.1-0.2	918
0.2-0.3	3657
0.3-0.4	9489
0.4-0.5	3361
0.5-0.6	7308
0.6-0.7	5192
0.7-0.8	823
0.8-0.85	25
0.85-0.9	15
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9469	High Similarity	NPC37302
0.9298	High Similarity	NPC303370
0.8983	High Similarity	NPC256369
0.8968	High Similarity	NPC303993
0.879	High Similarity	NPC186898
0.876	High Similarity	NPC213471
0.875	High Similarity	NPC41801
0.8667	High Similarity	NPC43275
0.8651	High Similarity	NPC52029
0.8651	High Similarity	NPC35961
0.8651	High Similarity	NPC195749
0.864	High Similarity	NPC251571
0.8621	High Similarity	NPC166837
0.8571	High Similarity	NPC155838
0.8522	High Similarity	NPC146530
0.8516	High Similarity	NPC214869
0.85	High Similarity	NPC323948
0.8443	Intermediate Similarity	NPC263835
0.8438	Intermediate Similarity	NPC114102
0.8417	Intermediate Similarity	NPC258992
0.8372	Intermediate Similarity	NPC471953
0.8268	Intermediate Similarity	NPC301713
0.8254	Intermediate Similarity	NPC95733
0.8254	Intermediate Similarity	NPC62101
0.8217	Intermediate Similarity	NPC99280
0.8203	Intermediate Similarity	NPC153990
0.8195	Intermediate Similarity	NPC204848
0.8195	Intermediate Similarity	NPC160607
0.8195	Intermediate Similarity	NPC41473
0.8195	Intermediate Similarity	NPC312770
0.8195	Intermediate Similarity	NPC14600
0.819	Intermediate Similarity	NPC113457
0.8189	Intermediate Similarity	NPC29477
0.8175	Intermediate Similarity	NPC211218
0.8134	Intermediate Similarity	NPC296898
0.8134	Intermediate Similarity	NPC299583
0.8051	Intermediate Similarity	NPC201959
0.8051	Intermediate Similarity	NPC96224
0.8051	Intermediate Similarity	NPC24101
0.8017	Intermediate Similarity	NPC12987
0.8017	Intermediate Similarity	NPC474603
0.8015	Intermediate Similarity	NPC195814
0.7984	Intermediate Similarity	NPC470626
0.7956	Intermediate Similarity	NPC222039
0.7956	Intermediate Similarity	NPC100478
0.7907	Intermediate Similarity	NPC182147
0.7907	Intermediate Similarity	NPC71105
0.7907	Intermediate Similarity	NPC207541
0.7907	Intermediate Similarity	NPC152186
0.7907	Intermediate Similarity	NPC170583
0.7907	Intermediate Similarity	NPC246133
0.7903	Intermediate Similarity	NPC293619
0.7899	Intermediate Similarity	NPC309982
0.7899	Intermediate Similarity	NPC75440
0.7879	Intermediate Similarity	NPC308885
0.7879	Intermediate Similarity	NPC255550
0.7879	Intermediate Similarity	NPC45191
0.7857	Intermediate Similarity	NPC95614
0.7857	Intermediate Similarity	NPC165133
0.7857	Intermediate Similarity	NPC232316
0.7857	Intermediate Similarity	NPC242885
0.7857	Intermediate Similarity	NPC56214
0.7857	Intermediate Similarity	NPC117780
0.7857	Intermediate Similarity	NPC227217
0.7846	Intermediate Similarity	NPC156944
0.7846	Intermediate Similarity	NPC251466
0.784	Intermediate Similarity	NPC122009
0.7833	Intermediate Similarity	NPC474272
0.7829	Intermediate Similarity	NPC300955
0.782	Intermediate Similarity	NPC130595
0.782	Intermediate Similarity	NPC93882
0.7815	Intermediate Similarity	NPC142297
0.7812	Intermediate Similarity	NPC471314
0.7812	Intermediate Similarity	NPC471315
0.781	Intermediate Similarity	NPC477837
0.781	Intermediate Similarity	NPC477838
0.7803	Intermediate Similarity	NPC470706
0.7795	Intermediate Similarity	NPC14007
0.7795	Intermediate Similarity	NPC224814
0.7795	Intermediate Similarity	NPC189844
0.7795	Intermediate Similarity	NPC109083
0.7795	Intermediate Similarity	NPC269843
0.7795	Intermediate Similarity	NPC60962
0.7795	Intermediate Similarity	NPC207613
0.7786	Intermediate Similarity	NPC99798
0.7786	Intermediate Similarity	NPC291449
0.7786	Intermediate Similarity	NPC41331
0.7786	Intermediate Similarity	NPC157740
0.7786	Intermediate Similarity	NPC5462
0.7778	Intermediate Similarity	NPC310338
0.7778	Intermediate Similarity	NPC163036
0.7778	Intermediate Similarity	NPC281298
0.777	Intermediate Similarity	NPC63628
0.777	Intermediate Similarity	NPC178466
0.7769	Intermediate Similarity	NPC46844
0.7761	Intermediate Similarity	NPC285078
0.7761	Intermediate Similarity	NPC313737
0.7761	Intermediate Similarity	NPC6854
0.776	Intermediate Similarity	NPC283468
0.775	Intermediate Similarity	NPC153690
0.7734	Intermediate Similarity	NPC54872
0.7734	Intermediate Similarity	NPC473853
0.7734	Intermediate Similarity	NPC184651
0.7734	Intermediate Similarity	NPC343720
0.7734	Intermediate Similarity	NPC262156
0.7734	Intermediate Similarity	NPC113865
0.7734	Intermediate Similarity	NPC324571
0.7734	Intermediate Similarity	NPC38996
0.7734	Intermediate Similarity	NPC470212
0.7734	Intermediate Similarity	NPC160380
0.7734	Intermediate Similarity	NPC312675
0.7731	Intermediate Similarity	NPC231705
0.7727	Intermediate Similarity	NPC147247
0.7727	Intermediate Similarity	NPC246974
0.7724	Intermediate Similarity	NPC35344
0.7724	Intermediate Similarity	NPC141003
0.7717	Intermediate Similarity	NPC474565
0.7717	Intermediate Similarity	NPC252817
0.7717	Intermediate Similarity	NPC321133
0.771	Intermediate Similarity	NPC218323
0.7704	Intermediate Similarity	NPC218530
0.7687	Intermediate Similarity	NPC274732
0.7686	Intermediate Similarity	NPC233731
0.7686	Intermediate Similarity	NPC7097
0.7686	Intermediate Similarity	NPC246358
0.7686	Intermediate Similarity	NPC36108
0.7681	Intermediate Similarity	NPC189724
0.7681	Intermediate Similarity	NPC212850
0.7681	Intermediate Similarity	NPC83289
0.7674	Intermediate Similarity	NPC473411
0.7674	Intermediate Similarity	NPC262253
0.7674	Intermediate Similarity	NPC71579
0.7674	Intermediate Similarity	NPC85488
0.7661	Intermediate Similarity	NPC228287
0.7661	Intermediate Similarity	NPC180508
0.766	Intermediate Similarity	NPC313414
0.7656	Intermediate Similarity	NPC166759
0.7652	Intermediate Similarity	NPC191302
0.7638	Intermediate Similarity	NPC268572
0.7627	Intermediate Similarity	NPC192596
0.7627	Intermediate Similarity	NPC178902
0.7626	Intermediate Similarity	NPC474128
0.7622	Intermediate Similarity	NPC471032
0.7622	Intermediate Similarity	NPC153644
0.7622	Intermediate Similarity	NPC470935
0.7619	Intermediate Similarity	NPC86947
0.7619	Intermediate Similarity	NPC280001
0.7615	Intermediate Similarity	NPC280704
0.7615	Intermediate Similarity	NPC18984
0.7615	Intermediate Similarity	NPC229084
0.7615	Intermediate Similarity	NPC317769
0.7615	Intermediate Similarity	NPC160900
0.7615	Intermediate Similarity	NPC471693
0.7615	Intermediate Similarity	NPC106659
0.7615	Intermediate Similarity	NPC31344
0.76	Intermediate Similarity	NPC464
0.76	Intermediate Similarity	NPC185541
0.76	Intermediate Similarity	NPC296526
0.7578	Intermediate Similarity	NPC247364
0.7578	Intermediate Similarity	NPC232084
0.7578	Intermediate Similarity	NPC471308
0.7578	Intermediate Similarity	NPC61516
0.7578	Intermediate Similarity	NPC289330
0.7578	Intermediate Similarity	NPC10932
0.7578	Intermediate Similarity	NPC17388
0.7578	Intermediate Similarity	NPC53596
0.7578	Intermediate Similarity	NPC160120
0.7574	Intermediate Similarity	NPC282477
0.7574	Intermediate Similarity	NPC473463
0.7574	Intermediate Similarity	NPC284855
0.7561	Intermediate Similarity	NPC78918
0.7561	Intermediate Similarity	NPC257124
0.7561	Intermediate Similarity	NPC156840
0.7561	Intermediate Similarity	NPC139617
0.7561	Intermediate Similarity	NPC90520
0.7561	Intermediate Similarity	NPC173746
0.7561	Intermediate Similarity	NPC8547
0.7561	Intermediate Similarity	NPC296920
0.7561	Intermediate Similarity	NPC266932
0.7559	Intermediate Similarity	NPC474040
0.7559	Intermediate Similarity	NPC474214
0.7557	Intermediate Similarity	NPC48990
0.7557	Intermediate Similarity	NPC74478
0.7557	Intermediate Similarity	NPC293701
0.7557	Intermediate Similarity	NPC114901
0.7557	Intermediate Similarity	NPC246704
0.7552	Intermediate Similarity	NPC277857
0.7552	Intermediate Similarity	NPC115144
0.7542	Intermediate Similarity	NPC51633
0.7541	Intermediate Similarity	NPC258056
0.754	Intermediate Similarity	NPC54507
0.754	Intermediate Similarity	NPC19290
0.754	Intermediate Similarity	NPC85292
0.754	Intermediate Similarity	NPC229147
0.7536	Intermediate Similarity	NPC254610
0.7521	Intermediate Similarity	NPC251306
0.7521	Intermediate Similarity	NPC100870
0.7519	Intermediate Similarity	NPC183262
0.75	Intermediate Similarity	NPC266705
0.75	Intermediate Similarity	NPC472093

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC83279 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	110
0.1-0.2	590
0.2-0.3	1017
0.3-0.4	1975
0.4-0.5	2674
0.5-0.6	1781
0.6-0.7	869
0.7-0.8	144
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8203	Intermediate Similarity	NPD4993	Discontinued
0.7895	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7891	Intermediate Similarity	NPD6583	Phase 3
0.7891	Intermediate Similarity	NPD6582	Phase 2
0.7879	Intermediate Similarity	NPD3145	Approved
0.7879	Intermediate Similarity	NPD3144	Approved
0.7829	Intermediate Similarity	NPD2922	Phase 1
0.782	Intermediate Similarity	NPD2674	Phase 3
0.7752	Intermediate Similarity	NPD1669	Approved
0.7752	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7717	Intermediate Similarity	NPD2667	Approved
0.7717	Intermediate Similarity	NPD2668	Approved
0.771	Intermediate Similarity	NPD6584	Phase 3
0.7642	Intermediate Similarity	NPD821	Approved
0.7615	Intermediate Similarity	NPD3685	Discontinued
0.7615	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7603	Intermediate Similarity	NPD2684	Approved
0.7561	Intermediate Similarity	NPD228	Approved
0.754	Intermediate Similarity	NPD3596	Phase 2
0.7519	Intermediate Similarity	NPD3847	Discontinued
0.75	Intermediate Similarity	NPD7843	Approved
0.7481	Intermediate Similarity	NPD1048	Approved
0.7478	Intermediate Similarity	NPD2933	Approved
0.7478	Intermediate Similarity	NPD2934	Approved
0.744	Intermediate Similarity	NPD5283	Phase 1
0.7438	Intermediate Similarity	NPD968	Approved
0.7431	Intermediate Similarity	NPD3985	Discontinued
0.7431	Intermediate Similarity	NPD4123	Phase 3
0.7422	Intermediate Similarity	NPD6581	Approved
0.7422	Intermediate Similarity	NPD6580	Approved
0.7414	Intermediate Similarity	NPD2860	Approved
0.7414	Intermediate Similarity	NPD2859	Approved
0.7405	Intermediate Similarity	NPD2233	Approved
0.7405	Intermediate Similarity	NPD2232	Approved
0.7405	Intermediate Similarity	NPD2230	Approved
0.7394	Intermediate Similarity	NPD5481	Discontinued
0.7385	Intermediate Similarity	NPD3421	Phase 3
0.7372	Intermediate Similarity	NPD1558	Phase 1
0.7368	Intermediate Similarity	NPD3827	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD3060	Approved
0.7323	Intermediate Similarity	NPD7157	Approved
0.7323	Intermediate Similarity	NPD2557	Approved
0.7323	Intermediate Similarity	NPD709	Approved
0.7299	Intermediate Similarity	NPD7477	Discontinued
0.7299	Intermediate Similarity	NPD1423	Approved
0.7286	Intermediate Similarity	NPD4108	Discontinued
0.7279	Intermediate Similarity	NPD3180	Approved
0.7279	Intermediate Similarity	NPD5163	Phase 2
0.7279	Intermediate Similarity	NPD3027	Phase 3
0.7279	Intermediate Similarity	NPD3179	Approved
0.7273	Intermediate Similarity	NPD6331	Phase 2
0.7273	Intermediate Similarity	NPD2337	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD3052	Approved
0.7266	Intermediate Similarity	NPD3054	Approved
0.7258	Intermediate Similarity	NPD5451	Approved
0.7241	Intermediate Similarity	NPD4357	Discontinued
0.7241	Intermediate Similarity	NPD2752	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD1818	Approved
0.7239	Intermediate Similarity	NPD1819	Approved
0.7239	Intermediate Similarity	NPD1817	Approved
0.7239	Intermediate Similarity	NPD1820	Approved
0.7236	Intermediate Similarity	NPD1358	Approved
0.7236	Intermediate Similarity	NPD290	Approved
0.7227	Intermediate Similarity	NPD3020	Approved
0.7226	Intermediate Similarity	NPD5109	Approved
0.7226	Intermediate Similarity	NPD5111	Phase 2
0.7226	Intermediate Similarity	NPD5110	Phase 2
0.7218	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD5536	Phase 2
0.7206	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD3536	Discontinued
0.7183	Intermediate Similarity	NPD3656	Approved
0.7181	Intermediate Similarity	NPD4675	Approved
0.7181	Intermediate Similarity	NPD4678	Approved
0.7176	Intermediate Similarity	NPD6516	Phase 2
0.7176	Intermediate Similarity	NPD5846	Approved
0.7176	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD3058	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD2234	Approved
0.7165	Intermediate Similarity	NPD2228	Approved
0.7165	Intermediate Similarity	NPD2229	Approved
0.7164	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD3165	Approved
0.7153	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD3167	Approved
0.7153	Intermediate Similarity	NPD3164	Approved
0.7153	Intermediate Similarity	NPD3166	Approved
0.7143	Intermediate Similarity	NPD2235	Phase 2
0.7143	Intermediate Similarity	NPD2231	Phase 2
0.7133	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD6072	Discontinued
0.7132	Intermediate Similarity	NPD5266	Clinical (unspecified phase)
0.7122	Intermediate Similarity	NPD4060	Phase 1
0.7122	Intermediate Similarity	NPD3597	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD3022	Approved
0.712	Intermediate Similarity	NPD3021	Approved
0.7113	Intermediate Similarity	NPD2161	Phase 2
0.7111	Intermediate Similarity	NPD1232	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD2219	Phase 1
0.7101	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD5718	Phase 2
0.7099	Intermediate Similarity	NPD2595	Approved
0.7099	Intermediate Similarity	NPD3049	Approved
0.7099	Intermediate Similarity	NPD3443	Approved
0.7099	Intermediate Similarity	NPD3445	Approved
0.7099	Intermediate Similarity	NPD3444	Approved
0.7099	Intermediate Similarity	NPD6382	Discontinued
0.7099	Intermediate Similarity	NPD2594	Approved
0.709	Intermediate Similarity	NPD6542	Approved
0.709	Intermediate Similarity	NPD2429	Approved
0.709	Intermediate Similarity	NPD2428	Approved
0.709	Intermediate Similarity	NPD6543	Approved
0.709	Intermediate Similarity	NPD6540	Phase 3
0.709	Intermediate Similarity	NPD4129	Approved
0.709	Intermediate Similarity	NPD6539	Approved
0.7087	Intermediate Similarity	NPD5535	Approved
0.7083	Intermediate Similarity	NPD4162	Approved
0.7068	Intermediate Similarity	NPD776	Approved
0.7059	Intermediate Similarity	NPD7451	Discontinued
0.705	Intermediate Similarity	NPD840	Approved
0.705	Intermediate Similarity	NPD7265	Discontinued
0.705	Intermediate Similarity	NPD839	Approved
0.7047	Intermediate Similarity	NPD4003	Phase 3
0.7045	Intermediate Similarity	NPD2556	Approved
0.7045	Intermediate Similarity	NPD2554	Approved
0.7045	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD6538	Approved
0.7037	Intermediate Similarity	NPD6541	Approved
0.7034	Intermediate Similarity	NPD9296	Approved
0.7029	Intermediate Similarity	NPD6179	Discontinued
0.7029	Intermediate Similarity	NPD1024	Discontinued
0.7027	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD1548	Phase 1
0.7023	Intermediate Similarity	NPD2486	Discontinued
0.7021	Intermediate Similarity	NPD4097	Suspended
0.7021	Intermediate Similarity	NPD2157	Approved
0.7021	Intermediate Similarity	NPD1772	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD3778	Approved
0.7016	Intermediate Similarity	NPD3134	Approved
0.7014	Intermediate Similarity	NPD7153	Discontinued
0.7007	Intermediate Similarity	NPD2407	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD1712	Approved
0.7	Intermediate Similarity	NPD2238	Phase 2
0.7	Intermediate Similarity	NPD4005	Discontinued
0.6993	Remote Similarity	NPD6032	Approved
0.6993	Remote Similarity	NPD3175	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD111	Approved
0.6986	Remote Similarity	NPD5241	Discontinued
0.6985	Remote Similarity	NPD3567	Approved
0.6985	Remote Similarity	NPD3568	Approved
0.6985	Remote Similarity	NPD1794	Approved
0.698	Remote Similarity	NPD7131	Phase 3
0.6978	Remote Similarity	NPD6798	Discontinued
0.6974	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD6895	Approved
0.6972	Remote Similarity	NPD6896	Approved
0.697	Remote Similarity	NPD1357	Approved
0.6966	Remote Similarity	NPD2459	Approved
0.6966	Remote Similarity	NPD4236	Phase 3
0.6966	Remote Similarity	NPD4237	Approved
0.6966	Remote Similarity	NPD2460	Phase 3
0.6966	Remote Similarity	NPD2458	Approved
0.6963	Remote Similarity	NPD2983	Phase 2
0.6963	Remote Similarity	NPD2982	Phase 2
0.6957	Remote Similarity	NPD4908	Phase 1
0.6957	Remote Similarity	NPD2614	Approved
0.6954	Remote Similarity	NPD6502	Phase 2
0.6939	Remote Similarity	NPD5756	Phase 2
0.6934	Remote Similarity	NPD7018	Phase 2
0.6929	Remote Similarity	NPD4062	Phase 3
0.6929	Remote Similarity	NPD6233	Phase 2
0.6929	Remote Similarity	NPD1726	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD7089	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2156	Approved
0.6923	Remote Similarity	NPD6671	Approved
0.6923	Remote Similarity	NPD3846	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2154	Approved
0.6923	Remote Similarity	NPD6387	Discontinued
0.6923	Remote Similarity	NPD2155	Approved
0.6908	Remote Similarity	NPD3236	Phase 3
0.6908	Remote Similarity	NPD3796	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD3237	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD7095	Approved
0.6901	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD4083	Discontinued
0.6897	Remote Similarity	NPD7037	Approved
0.6897	Remote Similarity	NPD2030	Discontinued
0.6897	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD4149	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD9295	Approved
0.6894	Remote Similarity	NPD5304	Approved
0.6894	Remote Similarity	NPD5303	Approved
0.6894	Remote Similarity	NPD1182	Approved
0.6892	Remote Similarity	NPD7213	Phase 3
0.6892	Remote Similarity	NPD7212	Phase 2
0.6889	Remote Similarity	NPD2981	Phase 2
0.6889	Remote Similarity	NPD2562	Approved
0.6889	Remote Similarity	NPD2561	Approved
0.6884	Remote Similarity	NPD2250	Discontinued

Structure

NPC83279 OpenBabel07101718182D 24 25 0 0 0 0 0 0 0 0999 V2000 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 4.0000 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 -8.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 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 -2.5981 1.5000 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 -6.0622 2.5000 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 -6.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 4.0000 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 -6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5263 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 7 1 0 0 0 0 3 15 2 0 0 0 0 4 8 2 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 14 2 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 3 0 0 0 19 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10404039
ChEMBL	CHEMBL457379
ZINC

Physicochemical Properties

Molecular Weight:	325.13
ALogP:	-1.2328
MLogP:	3
XLogP:	4.131
# Rotatable Bonds:	10
Polar Surface Area:	71.28
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	24

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