NPASS Natural Product

Natural Product: NPC474688

Natural Product ID:	NPC474688
Common Name:	Clausamine B
IUPAC Name:	6-methoxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one
Synonyms:
Molecular Formula:	C19H17NO3
Standard InCHIKey:	JUASZGNNULZOET-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H17NO3/c1-10(2)15-8-12-13(19(21)23-15)9-16(22-3)18-17(12)11-6-4-5-7-14(11)20-18/h4-7,9,15,20H,1,8H2,2-3H3
Canonical SMILES:	COc1cc2C(=O)OC(Cc2c2c1[nH]c1c2cccc1)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
NPO29109	Clausena anisata	Species	Rutaceae	Eukaryota				PMID[10650093]
NPO29109	Clausena anisata	Species	Rutaceae	Eukaryota				PMID[19459693]

Biological Activity

Activity Type	# Activity
Others	9

Activity Type	# Activity
Cell Line	5
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	80.3	%	22506638
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70	%	16274989
NPT80	Cell Line	Raji	Homo sapiens	Activity	>	80	%	16274989
NPT2	Others	Unspecified		Activity	=	78.2	%	11909733
NPT2	Others	Unspecified		Activity	=	39.2	%	11170642
NPT2	Others	Unspecified		Activity	=	18.3	%	12930149
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	60	%	12930149
NPT2	Others	Unspecified		Activity	=	100	%	12930149

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 NPC474688 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	350
0.1-0.2	1729
0.2-0.3	6833
0.3-0.4	5909
0.4-0.5	10225
0.5-0.6	4270
0.6-0.7	1236
0.7-0.8	291
0.8-0.85	29
0.85-0.9	9
0.9-0.95	6
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9657	High Similarity	NPC144452
0.9623	High Similarity	NPC475844
0.9429	High Similarity	NPC474701
0.9426	High Similarity	NPC274640
0.9369	High Similarity	NPC225279
0.9265	High Similarity	NPC39500
0.9143	High Similarity	NPC51388
0.9087	High Similarity	NPC184408
0.8981	High Similarity	NPC187501
0.8952	High Similarity	NPC208084
0.8779	High Similarity	NPC280799
0.8762	High Similarity	NPC118228
0.8679	High Similarity	NPC293151
0.8657	High Similarity	NPC179287
0.8647	High Similarity	NPC300156
0.8606	High Similarity	NPC4687
0.8514	High Similarity	NPC39370
0.8469	Intermediate Similarity	NPC45190
0.8443	Intermediate Similarity	NPC87413
0.8429	Intermediate Similarity	NPC249583
0.8423	Intermediate Similarity	NPC473186
0.8333	Intermediate Similarity	NPC169402
0.8326	Intermediate Similarity	NPC116238
0.831	Intermediate Similarity	NPC199667
0.8281	Intermediate Similarity	NPC470018
0.8265	Intermediate Similarity	NPC198503
0.8263	Intermediate Similarity	NPC473181
0.8255	Intermediate Similarity	NPC283117
0.8233	Intermediate Similarity	NPC310211
0.8233	Intermediate Similarity	NPC308137
0.8216	Intermediate Similarity	NPC39679
0.8211	Intermediate Similarity	NPC46561
0.8194	Intermediate Similarity	NPC6786
0.8186	Intermediate Similarity	NPC242928
0.8186	Intermediate Similarity	NPC294375
0.8182	Intermediate Similarity	NPC128823
0.8178	Intermediate Similarity	NPC49547
0.8136	Intermediate Similarity	NPC174760
0.8136	Intermediate Similarity	NPC150239
0.8116	Intermediate Similarity	NPC475190
0.8102	Intermediate Similarity	NPC9894
0.8088	Intermediate Similarity	NPC160381
0.8084	Intermediate Similarity	NPC321428
0.808	Intermediate Similarity	NPC74575
0.8065	Intermediate Similarity	NPC473180
0.8045	Intermediate Similarity	NPC247803
0.7991	Intermediate Similarity	NPC470930
0.7955	Intermediate Similarity	NPC3207
0.7906	Intermediate Similarity	NPC208522
0.7904	Intermediate Similarity	NPC329631
0.7892	Intermediate Similarity	NPC474798
0.7884	Intermediate Similarity	NPC191489
0.7848	Intermediate Similarity	NPC288987
0.7835	Intermediate Similarity	NPC470017
0.7832	Intermediate Similarity	NPC21638
0.7818	Intermediate Similarity	NPC94157
0.7803	Intermediate Similarity	NPC96321
0.7803	Intermediate Similarity	NPC473041
0.7773	Intermediate Similarity	NPC23294
0.7768	Intermediate Similarity	NPC473179
0.7763	Intermediate Similarity	NPC201697
0.7763	Intermediate Similarity	NPC478078
0.7755	Intermediate Similarity	NPC88923
0.7755	Intermediate Similarity	NPC315634
0.7755	Intermediate Similarity	NPC100734
0.7752	Intermediate Similarity	NPC193777
0.7733	Intermediate Similarity	NPC472099
0.7733	Intermediate Similarity	NPC132642
0.7731	Intermediate Similarity	NPC270515
0.7727	Intermediate Similarity	NPC470020
0.7727	Intermediate Similarity	NPC303951
0.771	Intermediate Similarity	NPC72211
0.7706	Intermediate Similarity	NPC474192
0.7706	Intermediate Similarity	NPC475720
0.7696	Intermediate Similarity	NPC162484
0.7682	Intermediate Similarity	NPC209769
0.7672	Intermediate Similarity	NPC473182
0.7667	Intermediate Similarity	NPC67401
0.7667	Intermediate Similarity	NPC473188
0.7664	Intermediate Similarity	NPC89549
0.7658	Intermediate Similarity	NPC48353
0.7653	Intermediate Similarity	NPC131017
0.765	Intermediate Similarity	NPC470022
0.7647	Intermediate Similarity	NPC471304
0.7636	Intermediate Similarity	NPC86834
0.7636	Intermediate Similarity	NPC210828
0.7634	Intermediate Similarity	NPC152768
0.7634	Intermediate Similarity	NPC148183
0.7627	Intermediate Similarity	NPC148889
0.7626	Intermediate Similarity	NPC476106
0.7617	Intermediate Similarity	NPC70259
0.7609	Intermediate Similarity	NPC257851
0.7607	Intermediate Similarity	NPC473187
0.7604	Intermediate Similarity	NPC267423
0.76	Intermediate Similarity	NPC312645
0.7597	Intermediate Similarity	NPC473105
0.7586	Intermediate Similarity	NPC260434
0.7585	Intermediate Similarity	NPC475816
0.7581	Intermediate Similarity	NPC70956
0.7581	Intermediate Similarity	NPC243834
0.758	Intermediate Similarity	NPC132539
0.7578	Intermediate Similarity	NPC38237
0.7576	Intermediate Similarity	NPC311906
0.7571	Intermediate Similarity	NPC132385
0.757	Intermediate Similarity	NPC43787
0.757	Intermediate Similarity	NPC205934
0.7566	Intermediate Similarity	NPC131885
0.7565	Intermediate Similarity	NPC202503
0.7564	Intermediate Similarity	NPC253675
0.7563	Intermediate Similarity	NPC142385
0.7552	Intermediate Similarity	NPC165964
0.7551	Intermediate Similarity	NPC284685
0.7534	Intermediate Similarity	NPC208284
0.7532	Intermediate Similarity	NPC473185
0.7523	Intermediate Similarity	NPC230403
0.7522	Intermediate Similarity	NPC314552
0.7521	Intermediate Similarity	NPC473800
0.752	Intermediate Similarity	NPC185197
0.7511	Intermediate Similarity	NPC475253
0.75	Intermediate Similarity	NPC323969
0.7489	Intermediate Similarity	NPC291535
0.7489	Intermediate Similarity	NPC475112
0.7489	Intermediate Similarity	NPC475085
0.7469	Intermediate Similarity	NPC478083
0.7467	Intermediate Similarity	NPC89508
0.7467	Intermediate Similarity	NPC476287
0.746	Intermediate Similarity	NPC230683
0.7457	Intermediate Similarity	NPC157931
0.7455	Intermediate Similarity	NPC146418
0.7443	Intermediate Similarity	NPC476044
0.7434	Intermediate Similarity	NPC477979
0.743	Intermediate Similarity	NPC152620
0.7426	Intermediate Similarity	NPC15801
0.7426	Intermediate Similarity	NPC472061
0.7425	Intermediate Similarity	NPC194740
0.7425	Intermediate Similarity	NPC471762
0.7425	Intermediate Similarity	NPC66777
0.7422	Intermediate Similarity	NPC474428
0.7422	Intermediate Similarity	NPC472098
0.7422	Intermediate Similarity	NPC118940
0.7398	Intermediate Similarity	NPC53534
0.7398	Intermediate Similarity	NPC472589
0.7389	Intermediate Similarity	NPC324361
0.7388	Intermediate Similarity	NPC472588
0.7377	Intermediate Similarity	NPC137353
0.7376	Intermediate Similarity	NPC165599
0.7376	Intermediate Similarity	NPC223427
0.7375	Intermediate Similarity	NPC72905
0.7373	Intermediate Similarity	NPC22481
0.7368	Intermediate Similarity	NPC305984
0.7359	Intermediate Similarity	NPC210434
0.7359	Intermediate Similarity	NPC216612
0.7357	Intermediate Similarity	NPC146976
0.7356	Intermediate Similarity	NPC84347
0.7352	Intermediate Similarity	NPC280714
0.735	Intermediate Similarity	NPC252251
0.7345	Intermediate Similarity	NPC264176
0.7339	Intermediate Similarity	NPC153042
0.7336	Intermediate Similarity	NPC303658
0.7336	Intermediate Similarity	NPC246700
0.7333	Intermediate Similarity	NPC477066
0.7328	Intermediate Similarity	NPC205372
0.7325	Intermediate Similarity	NPC330009
0.7325	Intermediate Similarity	NPC469928
0.7324	Intermediate Similarity	NPC194040
0.7321	Intermediate Similarity	NPC470280
0.7319	Intermediate Similarity	NPC278525
0.7319	Intermediate Similarity	NPC24019
0.7318	Intermediate Similarity	NPC329747
0.7316	Intermediate Similarity	NPC60621
0.7313	Intermediate Similarity	NPC236668
0.7311	Intermediate Similarity	NPC57453
0.7308	Intermediate Similarity	NPC140296
0.7303	Intermediate Similarity	NPC478081
0.7303	Intermediate Similarity	NPC477067
0.7303	Intermediate Similarity	NPC473540
0.7303	Intermediate Similarity	NPC166712
0.7303	Intermediate Similarity	NPC478082
0.7301	Intermediate Similarity	NPC220337
0.7297	Intermediate Similarity	NPC476138
0.7297	Intermediate Similarity	NPC245816
0.7292	Intermediate Similarity	NPC41501
0.7288	Intermediate Similarity	NPC477531
0.7285	Intermediate Similarity	NPC470586
0.7284	Intermediate Similarity	NPC475666
0.7281	Intermediate Similarity	NPC16066
0.728	Intermediate Similarity	NPC189903
0.728	Intermediate Similarity	NPC182907
0.728	Intermediate Similarity	NPC473183
0.7276	Intermediate Similarity	NPC237901
0.7276	Intermediate Similarity	NPC195788
0.7269	Intermediate Similarity	NPC34770
0.7269	Intermediate Similarity	NPC473184
0.7266	Intermediate Similarity	NPC471303
0.7264	Intermediate Similarity	NPC176127
0.726	Intermediate Similarity	NPC141454
0.7257	Intermediate Similarity	NPC269367
0.7257	Intermediate Similarity	NPC132329
0.7254	Intermediate Similarity	NPC17437
0.7253	Intermediate Similarity	NPC122436

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474688 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	258
0.1-0.2	718
0.2-0.3	898
0.3-0.4	1413
0.4-0.5	2758
0.5-0.6	2183
0.6-0.7	782
0.7-0.8	150
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9095	High Similarity	NPD6160	Clinical (unspecified phase)
0.7983	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD6716	Phase 1
0.7964	Intermediate Similarity	NPD5632	Approved
0.7917	Intermediate Similarity	NPD5429	Discontinued
0.7904	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7884	Intermediate Similarity	NPD7708	Approved
0.7883	Intermediate Similarity	NPD7395	Discontinued
0.7835	Intermediate Similarity	NPD3006	Discontinued
0.7783	Intermediate Similarity	NPD5512	Phase 3
0.7773	Intermediate Similarity	NPD5479	Discontinued
0.7755	Intermediate Similarity	NPD7803	Approved
0.7748	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7735	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7723	Intermediate Similarity	NPD4429	Discontinued
0.7699	Intermediate Similarity	NPD5482	Discontinued
0.7665	Intermediate Similarity	NPD2285	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD5003	Discontinued
0.7662	Intermediate Similarity	NPD1867	Approved
0.7613	Intermediate Similarity	NPD5416	Discontinued
0.7577	Intermediate Similarity	NPD6242	Discontinued
0.7551	Intermediate Similarity	NPD7955	Approved
0.7551	Intermediate Similarity	NPD7956	Approved
0.7545	Intermediate Similarity	NPD3945	Discontinued
0.7543	Intermediate Similarity	NPD5022	Discontinued
0.7534	Intermediate Similarity	NPD4502	Phase 2
0.7533	Intermediate Similarity	NPD6770	Approved
0.7532	Intermediate Similarity	NPD7853	Phase 2
0.7522	Intermediate Similarity	NPD5164	Discontinued
0.7511	Intermediate Similarity	NPD3257	Approved
0.7479	Intermediate Similarity	NPD3746	Discontinued
0.7478	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7465	Intermediate Similarity	NPD2565	Phase 2
0.7465	Intermediate Similarity	NPD2564	Approved
0.7457	Intermediate Similarity	NPD7994	Phase 2
0.7456	Intermediate Similarity	NPD3258	Approved
0.7455	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD7597	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD6962	Phase 2
0.7436	Intermediate Similarity	NPD7688	Phase 1
0.7401	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD5450	Discontinued
0.7393	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7393	Intermediate Similarity	NPD4952	Phase 3
0.7382	Intermediate Similarity	NPD4328	Approved
0.7381	Intermediate Similarity	NPD8364	Approved
0.7381	Intermediate Similarity	NPD8363	Approved
0.7376	Intermediate Similarity	NPD2920	Discontinued
0.7373	Intermediate Similarity	NPD6550	Discontinued
0.7362	Intermediate Similarity	NPD1466	Phase 3
0.7362	Intermediate Similarity	NPD1467	Approved
0.7362	Intermediate Similarity	NPD1505	Phase 2
0.7352	Intermediate Similarity	NPD2778	Approved
0.7352	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD1166	Clinical (unspecified phase)
0.7331	Intermediate Similarity	NPD4885	Approved
0.7327	Intermediate Similarity	NPD4418	Discontinued
0.7323	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.73	Intermediate Similarity	NPD4373	Phase 2
0.7291	Intermediate Similarity	NPD6456	Discontinued
0.7289	Intermediate Similarity	NPD4506	Discontinued
0.7284	Intermediate Similarity	NPD5488	Discontinued
0.7276	Intermediate Similarity	NPD8465	Approved
0.7276	Intermediate Similarity	NPD8467	Approved
0.7276	Intermediate Similarity	NPD8466	Approved
0.7273	Intermediate Similarity	NPD7180	Phase 3
0.7269	Intermediate Similarity	NPD7069	Discontinued
0.7269	Intermediate Similarity	NPD2951	Discontinued
0.7265	Intermediate Similarity	NPD5901	Discontinued
0.7265	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD7417	Discontinued
0.7254	Intermediate Similarity	NPD8358	Approved
0.7252	Intermediate Similarity	NPD2779	Approved
0.7244	Intermediate Similarity	NPD5658	Approved
0.724	Intermediate Similarity	NPD3290	Approved
0.724	Intermediate Similarity	NPD3289	Phase 3
0.7239	Intermediate Similarity	NPD7690	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD3259	Approved
0.7225	Intermediate Similarity	NPD5936	Approved
0.7225	Intermediate Similarity	NPD5939	Approved
0.7222	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.721	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.721	Intermediate Similarity	NPD6995	Phase 1
0.7209	Intermediate Similarity	NPD8428	Approved
0.7209	Intermediate Similarity	NPD8427	Approved
0.7209	Intermediate Similarity	NPD8429	Approved
0.7205	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7177	Intermediate Similarity	NPD8463	Approved
0.7177	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD6531	Approved
0.7171	Intermediate Similarity	NPD6530	Approved
0.7169	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD8460	Approved
0.7165	Intermediate Similarity	NPD8425	Approved
0.7165	Intermediate Similarity	NPD8426	Approved
0.7165	Intermediate Similarity	NPD8459	Approved
0.7162	Intermediate Similarity	NPD4500	Approved
0.7162	Intermediate Similarity	NPD4501	Approved
0.7162	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6517	Phase 3
0.7156	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD3003	Approved
0.7155	Intermediate Similarity	NPD6974	Phase 3
0.7149	Intermediate Similarity	NPD3925	Approved
0.7143	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7137	Intermediate Similarity	NPD5805	Approved
0.7124	Intermediate Similarity	NPD7222	Phase 2
0.7124	Intermediate Similarity	NPD6290	Phase 2
0.7123	Intermediate Similarity	NPD3920	Phase 2
0.7119	Intermediate Similarity	NPD6790	Phase 1
0.7119	Intermediate Similarity	NPD3263	Phase 3
0.7117	Intermediate Similarity	NPD2177	Approved
0.7117	Intermediate Similarity	NPD2175	Phase 3
0.7117	Intermediate Similarity	NPD2176	Approved
0.711	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD5913	Phase 3
0.7104	Intermediate Similarity	NPD6988	Phase 1
0.7097	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD5891	Approved
0.7091	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD6460	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD4368	Phase 2
0.7066	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5559	Phase 2
0.7056	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD5902	Approved
0.7056	Intermediate Similarity	NPD5903	Approved
0.7056	Intermediate Similarity	NPD3986	Discontinued
0.7051	Intermediate Similarity	NPD5850	Phase 3
0.7048	Intermediate Similarity	NPD7452	Approved
0.7048	Intermediate Similarity	NPD7453	Approved
0.7029	Intermediate Similarity	NPD5924	Discontinued
0.7026	Intermediate Similarity	NPD5612	Discontinued
0.7025	Intermediate Similarity	NPD3250	Phase 1
0.7025	Intermediate Similarity	NPD4454	Phase 2
0.7024	Intermediate Similarity	NPD8091	Phase 3
0.7018	Intermediate Similarity	NPD2509	Approved
0.7018	Intermediate Similarity	NPD2510	Approved
0.7016	Intermediate Similarity	NPD8102	Discontinued
0.7013	Intermediate Similarity	NPD4356	Discontinued
0.7012	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD5256	Discontinued
0.7004	Intermediate Similarity	NPD7010	Phase 3
0.7004	Intermediate Similarity	NPD6245	Phase 2
0.7004	Intermediate Similarity	NPD7925	Phase 2
0.7004	Intermediate Similarity	NPD7924	Phase 2
0.7	Intermediate Similarity	NPD7468	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5475	Discontinued
0.6991	Remote Similarity	NPD6176	Phase 1
0.6987	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD4511	Phase 1
0.697	Remote Similarity	NPD5866	Approved
0.6968	Remote Similarity	NPD1038	Approved
0.6968	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.696	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.696	Remote Similarity	NPD3947	Discontinued
0.6948	Remote Similarity	NPD4558	Phase 2
0.6943	Remote Similarity	NPD7467	Discontinued
0.6943	Remote Similarity	NPD6376	Discontinued
0.6937	Remote Similarity	NPD6590	Discontinued
0.6933	Remote Similarity	NPD4601	Approved
0.6933	Remote Similarity	NPD4600	Approved
0.6926	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.691	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.691	Remote Similarity	NPD5293	Phase 2
0.6907	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6904	Remote Similarity	NPD7603	Discontinued
0.6897	Remote Similarity	NPD6657	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD3354	Phase 2
0.6894	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD7279	Phase 2
0.6891	Remote Similarity	NPD7278	Phase 2
0.6889	Remote Similarity	NPD1768	Approved
0.6889	Remote Similarity	NPD3825	Phase 3
0.6888	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.688	Remote Similarity	NPD3389	Approved
0.688	Remote Similarity	NPD3393	Approved
0.688	Remote Similarity	NPD3394	Approved
0.6875	Remote Similarity	NPD8489	Phase 1
0.6873	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD2681	Approved
0.6872	Remote Similarity	NPD2680	Approved
0.6861	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6858	Remote Similarity	NPD484	Approved
0.6844	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD6228	Discontinued
0.6835	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6834	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6834	Remote Similarity	NPD4442	Phase 2
0.6831	Remote Similarity	NPD6263	Clinical (unspecified phase)
0.683	Remote Similarity	NPD7181	Phase 3
0.6829	Remote Similarity	NPD4394	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD7455	Approved
0.6824	Remote Similarity	NPD7454	Approved
0.6822	Remote Similarity	NPD6985	Discontinued
0.6818	Remote Similarity	NPD6199	Discontinued

Structure

NPC474688 OpenBabel07101718192D 23 26 0 0 1 0 0 0 0 0999 V2000 1.7321 2.0000 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 0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9504 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 -1.8955 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 -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 3.5491 -1.1910 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 3 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 2.5981 -1.5000 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 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -2.8090 0.0000 N 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 1.7321 -4.0000 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 10 2 0 0 0 0 2 10 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 7 14 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10662509
ChEMBL	CHEMBL479483
ZINC

Physicochemical Properties

Molecular Weight:	307.12
ALogP:	0.6026
MLogP:	3.11
XLogP:	3.387
# Rotatable Bonds:	4
Polar Surface Area:	51.32
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	23

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