NPASS Natural Product

Natural Product: NPC9894

Natural Product ID:	NPC9894
Common Name:	Micromeline
IUPAC Name:	6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Synonyms:
Molecular Formula:	C18H17NO2
Standard InCHIKey:	GCNGRDPCOLMSIC-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H17NO2/c1-11(2)3-5-13-17(21)8-7-16-18(13)14-9-12(10-20)4-6-15(14)19-16/h3-4,6-10,19,21H,5H2,1-2H3
Canonical SMILES:	O=Cc1ccc2c(c1)c1c([nH]2)ccc(c1CC=C(C)C)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
NPO12271	Micromelum hirsutum	Species	Rutaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC90	=	31.5	ug/ml	10.1007/s00044-007-9073-0
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC90	>	128000	nM	10.1007/s00044-007-9073-0

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 NPC9894 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	306
0.1-0.2	1622
0.2-0.3	7822
0.3-0.4	4881
0.4-0.5	11730
0.5-0.6	2870
0.6-0.7	1276
0.7-0.8	321
0.8-0.85	38
0.85-0.9	19
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9141	High Similarity	NPC293151
0.9082	High Similarity	NPC23294
0.9082	High Similarity	NPC294375
0.9031	High Similarity	NPC303951
0.893	High Similarity	NPC246700
0.8929	High Similarity	NPC210828
0.8929	High Similarity	NPC86834
0.8923	High Similarity	NPC45190
0.8878	High Similarity	NPC283117
0.8857	High Similarity	NPC6786
0.8775	High Similarity	NPC280799
0.873	High Similarity	NPC128751
0.8725	High Similarity	NPC150239
0.8705	High Similarity	NPC153042
0.8689	High Similarity	NPC51388
0.8684	High Similarity	NPC106833
0.8684	High Similarity	NPC469497
0.8636	High Similarity	NPC300156
0.8627	High Similarity	NPC247803
0.8627	High Similarity	NPC46561
0.855	High Similarity	NPC39679
0.8544	High Similarity	NPC225279
0.8503	High Similarity	NPC88363
0.848	Intermediate Similarity	NPC118228
0.8443	Intermediate Similarity	NPC474701
0.8439	Intermediate Similarity	NPC3207
0.8408	Intermediate Similarity	NPC193777
0.8408	Intermediate Similarity	NPC249583
0.8382	Intermediate Similarity	NPC310211
0.8382	Intermediate Similarity	NPC308137
0.8381	Intermediate Similarity	NPC179287
0.8349	Intermediate Similarity	NPC274640
0.8333	Intermediate Similarity	NPC87413
0.8333	Intermediate Similarity	NPC187501
0.8286	Intermediate Similarity	NPC144452
0.8269	Intermediate Similarity	NPC184408
0.8238	Intermediate Similarity	NPC89549
0.8238	Intermediate Similarity	NPC198503
0.8227	Intermediate Similarity	NPC270918
0.819	Intermediate Similarity	NPC174760
0.8187	Intermediate Similarity	NPC94943
0.8186	Intermediate Similarity	NPC171787
0.8144	Intermediate Similarity	NPC160381
0.8143	Intermediate Similarity	NPC208084
0.8137	Intermediate Similarity	NPC4687
0.8137	Intermediate Similarity	NPC321428
0.8135	Intermediate Similarity	NPC190007
0.8131	Intermediate Similarity	NPC276517
0.8116	Intermediate Similarity	NPC48353
0.8102	Intermediate Similarity	NPC474688
0.8086	Intermediate Similarity	NPC469928
0.8083	Intermediate Similarity	NPC212535
0.8077	Intermediate Similarity	NPC39500
0.8054	Intermediate Similarity	NPC475844
0.8049	Intermediate Similarity	NPC53344
0.8048	Intermediate Similarity	NPC169402
0.8038	Intermediate Similarity	NPC116238
0.8037	Intermediate Similarity	NPC473187
0.8029	Intermediate Similarity	NPC219087
0.802	Intermediate Similarity	NPC213308
0.8019	Intermediate Similarity	NPC276657
0.799	Intermediate Similarity	NPC476098
0.7982	Intermediate Similarity	NPC132329
0.796	Intermediate Similarity	NPC70956
0.796	Intermediate Similarity	NPC243834
0.7946	Intermediate Similarity	NPC160898
0.7909	Intermediate Similarity	NPC39370
0.7906	Intermediate Similarity	NPC474409
0.7902	Intermediate Similarity	NPC134848
0.79	Intermediate Similarity	NPC473186
0.7861	Intermediate Similarity	NPC131017
0.782	Intermediate Similarity	NPC31700
0.7799	Intermediate Similarity	NPC325297
0.7799	Intermediate Similarity	NPC201697
0.7788	Intermediate Similarity	NPC183777
0.7788	Intermediate Similarity	NPC88008
0.7761	Intermediate Similarity	NPC99666
0.7758	Intermediate Similarity	NPC15801
0.7756	Intermediate Similarity	NPC315491
0.7756	Intermediate Similarity	NPC45459
0.7754	Intermediate Similarity	NPC76982
0.7745	Intermediate Similarity	NPC306376
0.7729	Intermediate Similarity	NPC162484
0.7721	Intermediate Similarity	NPC74360
0.7713	Intermediate Similarity	NPC477549
0.7707	Intermediate Similarity	NPC128823
0.7692	Intermediate Similarity	NPC477112
0.7689	Intermediate Similarity	NPC12344
0.7682	Intermediate Similarity	NPC252251
0.7681	Intermediate Similarity	NPC475085
0.7681	Intermediate Similarity	NPC475112
0.7681	Intermediate Similarity	NPC291535
0.7678	Intermediate Similarity	NPC471304
0.767	Intermediate Similarity	NPC249040
0.7664	Intermediate Similarity	NPC330009
0.7662	Intermediate Similarity	NPC83111
0.7644	Intermediate Similarity	NPC223427
0.7644	Intermediate Similarity	NPC165599
0.7638	Intermediate Similarity	NPC314002
0.7636	Intermediate Similarity	NPC478078
0.7628	Intermediate Similarity	NPC314552
0.7621	Intermediate Similarity	NPC280714
0.7613	Intermediate Similarity	NPC477531
0.761	Intermediate Similarity	NPC156704
0.761	Intermediate Similarity	NPC141454
0.76	Intermediate Similarity	NPC171171
0.7594	Intermediate Similarity	NPC309845
0.7593	Intermediate Similarity	NPC96321
0.7593	Intermediate Similarity	NPC264285
0.7588	Intermediate Similarity	NPC204717
0.7581	Intermediate Similarity	NPC322064
0.7578	Intermediate Similarity	NPC207686
0.7571	Intermediate Similarity	NPC476106
0.7568	Intermediate Similarity	NPC209174
0.7562	Intermediate Similarity	NPC206186
0.7559	Intermediate Similarity	NPC208284
0.7538	Intermediate Similarity	NPC220765
0.7536	Intermediate Similarity	NPC244741
0.7524	Intermediate Similarity	NPC77555
0.7512	Intermediate Similarity	NPC181502
0.7512	Intermediate Similarity	NPC85066
0.7512	Intermediate Similarity	NPC194040
0.7512	Intermediate Similarity	NPC135887
0.7512	Intermediate Similarity	NPC199277
0.75	Intermediate Similarity	NPC74969
0.75	Intermediate Similarity	NPC474192
0.75	Intermediate Similarity	NPC475720
0.75	Intermediate Similarity	NPC303225
0.7488	Intermediate Similarity	NPC72211
0.7488	Intermediate Similarity	NPC478074
0.7477	Intermediate Similarity	NPC220337
0.7477	Intermediate Similarity	NPC470126
0.7477	Intermediate Similarity	NPC157931
0.7475	Intermediate Similarity	NPC72980
0.7468	Intermediate Similarity	NPC473800
0.7468	Intermediate Similarity	NPC473188
0.7468	Intermediate Similarity	NPC67401
0.7465	Intermediate Similarity	NPC312645
0.7463	Intermediate Similarity	NPC45850
0.745	Intermediate Similarity	NPC176127
0.7444	Intermediate Similarity	NPC253580
0.7442	Intermediate Similarity	NPC294620
0.7442	Intermediate Similarity	NPC473180
0.7441	Intermediate Similarity	NPC475070
0.7438	Intermediate Similarity	NPC242928
0.7438	Intermediate Similarity	NPC221873
0.7432	Intermediate Similarity	NPC470018
0.743	Intermediate Similarity	NPC5145
0.7424	Intermediate Similarity	NPC184964
0.7419	Intermediate Similarity	NPC148183
0.7419	Intermediate Similarity	NPC152768
0.7407	Intermediate Similarity	NPC89508
0.7404	Intermediate Similarity	NPC473747
0.7404	Intermediate Similarity	NPC472284
0.7403	Intermediate Similarity	NPC208522
0.7397	Intermediate Similarity	NPC473179
0.7391	Intermediate Similarity	NPC251090
0.7391	Intermediate Similarity	NPC70259
0.7385	Intermediate Similarity	NPC472285
0.738	Intermediate Similarity	NPC475816
0.7376	Intermediate Similarity	NPC16352
0.7376	Intermediate Similarity	NPC241025
0.7374	Intermediate Similarity	NPC84347
0.7364	Intermediate Similarity	NPC472099
0.7361	Intermediate Similarity	NPC110182
0.7356	Intermediate Similarity	NPC90229
0.7352	Intermediate Similarity	NPC477609
0.735	Intermediate Similarity	NPC478032
0.7349	Intermediate Similarity	NPC199667
0.7349	Intermediate Similarity	NPC234999
0.7343	Intermediate Similarity	NPC43787
0.7343	Intermediate Similarity	NPC205934
0.7342	Intermediate Similarity	NPC478083
0.7333	Intermediate Similarity	NPC472844
0.7313	Intermediate Similarity	NPC473182
0.7306	Intermediate Similarity	NPC27041
0.7302	Intermediate Similarity	NPC209769
0.7302	Intermediate Similarity	NPC473181
0.7302	Intermediate Similarity	NPC476116
0.7299	Intermediate Similarity	NPC267423
0.7298	Intermediate Similarity	NPC45048
0.7297	Intermediate Similarity	NPC220851
0.7296	Intermediate Similarity	NPC178858
0.7295	Intermediate Similarity	NPC307963
0.7294	Intermediate Similarity	NPC16066
0.7291	Intermediate Similarity	NPC476319
0.7289	Intermediate Similarity	NPC311906
0.7289	Intermediate Similarity	NPC194740
0.7285	Intermediate Similarity	NPC132642
0.7285	Intermediate Similarity	NPC86078
0.7281	Intermediate Similarity	NPC475778
0.7281	Intermediate Similarity	NPC97902
0.7273	Intermediate Similarity	NPC477066
0.7273	Intermediate Similarity	NPC34508
0.7269	Intermediate Similarity	NPC470020
0.7269	Intermediate Similarity	NPC49547
0.7268	Intermediate Similarity	NPC183805
0.7259	Intermediate Similarity	NPC280548
0.7258	Intermediate Similarity	NPC279589
0.7252	Intermediate Similarity	NPC477532

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC9894 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	249
0.1-0.2	683
0.2-0.3	886
0.3-0.4	1186
0.4-0.5	2905
0.5-0.6	2319
0.6-0.7	834
0.7-0.8	97
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8039	Intermediate Similarity	NPD6138	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7944	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7864	Intermediate Similarity	NPD5901	Discontinued
0.7818	Intermediate Similarity	NPD3746	Discontinued
0.7756	Intermediate Similarity	NPD484	Approved
0.7751	Intermediate Similarity	NPD2916	Discontinued
0.7751	Intermediate Similarity	NPD6376	Discontinued
0.7718	Intermediate Similarity	NPD4511	Phase 1
0.7685	Intermediate Similarity	NPD6242	Discontinued
0.7639	Intermediate Similarity	NPD3258	Approved
0.7635	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD5164	Discontinued
0.755	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7526	Intermediate Similarity	NPD1325	Approved
0.7526	Intermediate Similarity	NPD1326	Approved
0.7522	Intermediate Similarity	NPD5488	Discontinued
0.7512	Intermediate Similarity	NPD5632	Approved
0.75	Intermediate Similarity	NPD5151	Clinical (unspecified phase)
0.7477	Intermediate Similarity	NPD4845	Discontinued
0.7474	Intermediate Similarity	NPD2844	Phase 3
0.7455	Intermediate Similarity	NPD6995	Phase 1
0.7454	Intermediate Similarity	NPD3257	Approved
0.744	Intermediate Similarity	NPD5003	Discontinued
0.7399	Intermediate Similarity	NPD4328	Approved
0.7395	Intermediate Similarity	NPD6530	Approved
0.7395	Intermediate Similarity	NPD6531	Approved
0.7389	Intermediate Similarity	NPD4948	Discontinued
0.7368	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD5479	Discontinued
0.7327	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD2565	Phase 2
0.7317	Intermediate Similarity	NPD2564	Approved
0.7315	Intermediate Similarity	NPD5936	Approved
0.7315	Intermediate Similarity	NPD5416	Discontinued
0.7315	Intermediate Similarity	NPD5939	Approved
0.7304	Intermediate Similarity	NPD4561	Discontinued
0.7295	Intermediate Similarity	NPD1038	Approved
0.7286	Intermediate Similarity	NPD2176	Approved
0.7286	Intermediate Similarity	NPD2175	Phase 3
0.7286	Intermediate Similarity	NPD2177	Approved
0.7277	Intermediate Similarity	NPD3986	Discontinued
0.726	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD6456	Discontinued
0.723	Intermediate Similarity	NPD2920	Discontinued
0.7215	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD8395	Approved
0.7204	Intermediate Similarity	NPD8396	Approved
0.7195	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD7395	Discontinued
0.7191	Intermediate Similarity	NPD8358	Approved
0.719	Intermediate Similarity	NPD7948	Phase 1
0.7184	Intermediate Similarity	NPD1534	Approved
0.7182	Intermediate Similarity	NPD5612	Discontinued
0.7181	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD5507	Approved
0.7175	Intermediate Similarity	NPD5506	Approved
0.717	Intermediate Similarity	NPD4600	Approved
0.717	Intermediate Similarity	NPD4601	Approved
0.7168	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD2715	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD3003	Approved
0.7155	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD3809	Discontinued
0.713	Intermediate Similarity	NPD5429	Discontinued
0.7129	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7116	Intermediate Similarity	NPD2721	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD5658	Approved
0.7091	Intermediate Similarity	NPD3243	Approved
0.7087	Intermediate Similarity	NPD4373	Phase 2
0.7083	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD5530	Phase 1
0.7075	Intermediate Similarity	NPD2727	Phase 2
0.7053	Intermediate Similarity	NPD2383	Phase 1
0.7051	Intermediate Similarity	NPD7222	Phase 2
0.7051	Intermediate Similarity	NPD6290	Phase 2
0.7051	Intermediate Similarity	NPD7453	Approved
0.7051	Intermediate Similarity	NPD7452	Approved
0.7048	Intermediate Similarity	NPD7603	Discontinued
0.7044	Intermediate Similarity	NPD5398	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD3354	Phase 2
0.7037	Intermediate Similarity	NPD6987	Phase 1
0.7037	Intermediate Similarity	NPD7708	Approved
0.7031	Intermediate Similarity	NPD4952	Phase 3
0.7027	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD5050	Approved
0.7024	Intermediate Similarity	NPD3320	Approved
0.7024	Intermediate Similarity	NPD3318	Approved
0.7024	Intermediate Similarity	NPD7181	Phase 3
0.7024	Intermediate Similarity	NPD3319	Phase 1
0.7021	Intermediate Similarity	NPD6716	Phase 1
0.7014	Intermediate Similarity	NPD4418	Discontinued
0.7009	Intermediate Similarity	NPD4312	Approved
0.7004	Intermediate Similarity	NPD3925	Approved
0.7	Intermediate Similarity	NPD4502	Phase 2
0.7	Intermediate Similarity	NPD7688	Phase 1
0.7	Intermediate Similarity	NPD5937	Approved
0.6987	Remote Similarity	NPD5482	Discontinued
0.6987	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD4506	Discontinued
0.6983	Remote Similarity	NPD2951	Discontinued
0.6981	Remote Similarity	NPD5512	Phase 3
0.698	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.698	Remote Similarity	NPD7324	Discontinued
0.6979	Remote Similarity	NPD7417	Discontinued
0.697	Remote Similarity	NPD4885	Approved
0.6968	Remote Similarity	NPD6657	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD802	Phase 2
0.6965	Remote Similarity	NPD3776	Discontinued
0.6964	Remote Similarity	NPD4429	Discontinued
0.6962	Remote Similarity	NPD3962	Phase 2
0.6962	Remote Similarity	NPD3959	Phase 2
0.6959	Remote Similarity	NPD5426	Phase 3
0.6955	Remote Similarity	NPD8091	Phase 3
0.6952	Remote Similarity	NPD6630	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD3914	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD6161	Approved
0.6948	Remote Similarity	NPD6162	Approved
0.6946	Remote Similarity	NPD4558	Phase 2
0.6944	Remote Similarity	NPD6975	Discontinued
0.6933	Remote Similarity	NPD6770	Approved
0.693	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD6724	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD5445	Approved
0.6923	Remote Similarity	NPD7803	Approved
0.6919	Remote Similarity	NPD1685	Approved
0.6919	Remote Similarity	NPD1684	Approved
0.6916	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD6176	Phase 1
0.6907	Remote Similarity	NPD6790	Phase 1
0.6906	Remote Similarity	NPD5902	Approved
0.6906	Remote Similarity	NPD5903	Approved
0.6906	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD4897	Phase 2
0.6901	Remote Similarity	NPD8463	Approved
0.6895	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD2794	Discontinued
0.6892	Remote Similarity	NPD7069	Discontinued
0.6892	Remote Similarity	NPD8093	Discontinued
0.6889	Remote Similarity	NPD7878	Phase 2
0.6884	Remote Similarity	NPD3814	Phase 1
0.6884	Remote Similarity	NPD1768	Approved
0.6883	Remote Similarity	NPD5022	Discontinued
0.6881	Remote Similarity	NPD3947	Discontinued
0.6881	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD8102	Discontinued
0.6875	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD5913	Phase 3
0.687	Remote Similarity	NPD6292	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD2509	Approved
0.6864	Remote Similarity	NPD2510	Approved
0.6861	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD8094	Discontinued
0.6857	Remote Similarity	NPD7956	Approved
0.6857	Remote Similarity	NPD7955	Approved
0.6854	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD6962	Phase 2
0.6851	Remote Similarity	NPD5805	Approved
0.6849	Remote Similarity	NPD7001	Phase 3
0.6847	Remote Similarity	NPD7470	Discontinued
0.684	Remote Similarity	NPD8363	Approved
0.684	Remote Similarity	NPD8364	Approved
0.6837	Remote Similarity	NPD7946	Pre-registration
0.6837	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD3755	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD6159	Phase 2
0.6827	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4499	Approved
0.6818	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7454	Approved
0.6816	Remote Similarity	NPD7455	Approved
0.6816	Remote Similarity	NPD3330	Phase 1
0.6814	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD3178	Discontinued
0.681	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD3825	Phase 3
0.6806	Remote Similarity	NPD6999	Discontinued
0.6802	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD3259	Approved
0.6796	Remote Similarity	NPD3920	Phase 2
0.6792	Remote Similarity	NPD5807	Phase 2
0.6792	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD1867	Approved
0.678	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD2095	Phase 2
0.6779	Remote Similarity	NPD2092	Phase 2
0.6779	Remote Similarity	NPD2094	Phase 2
0.6774	Remote Similarity	NPD4500	Approved
0.6774	Remote Similarity	NPD4501	Approved
0.6773	Remote Similarity	NPD6245	Phase 2

Structure

CID9894 OpenBabel06191715332D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.6759 4.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 4.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 2.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6763 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 4.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 2.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 1.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 11 2 0 0 0 0 4 6 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 20 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5278450
ChEMBL	CHEMBL2260659
ZINC

Physicochemical Properties

Molecular Weight:	279.13
ALogP:	0.8043
MLogP:	3.11
XLogP:	3.814
# Rotatable Bonds:	6
Polar Surface Area:	53.09
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	21

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