NPASS Natural Product

Natural Product: NPC230683

Natural Product ID:	NPC230683
Common Name:	Salvianen
IUPAC Name:
Synonyms:	Salvianen
Molecular Formula:	C21H21NO2
Standard InCHIKey:	RJEFBXFKZLHMNG-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H21NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)18-20(16(11)19)24-12(2)22-18/h7-8,10H,5-6,9H2,1-4H3
Canonical SMILES:	Cc1oc2c(n1)c1c(c3c2c(C)co3)ccc2c1CCCC2(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
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota				PMID[16038550]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota				TCM_Taiwan*

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	CD50	=	30.4	nM	16038550
NPT377	Cell Line	OVCAR-3	Homo sapiens	CD50	=	39.5	nM	16038550
NPT165	Cell Line	HeLa	Homo sapiens	CD50	=	32.3	nM	16038550

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 NPC230683 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	521
0.1-0.2	2248
0.2-0.3	7831
0.3-0.4	5477
0.4-0.5	7990
0.5-0.6	6249
0.6-0.7	506
0.7-0.8	62
0.8-0.85	4
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9	High Similarity	NPC185197
0.8465	Intermediate Similarity	NPC72715
0.8143	Intermediate Similarity	NPC140296
0.8138	Intermediate Similarity	NPC203373
0.8031	Intermediate Similarity	NPC209981
0.7984	Intermediate Similarity	NPC101312
0.7976	Intermediate Similarity	NPC120513
0.7938	Intermediate Similarity	NPC470042
0.7897	Intermediate Similarity	NPC38237
0.7881	Intermediate Similarity	NPC131885
0.788	Intermediate Similarity	NPC173250
0.7852	Intermediate Similarity	NPC282346
0.7796	Intermediate Similarity	NPC34770
0.7751	Intermediate Similarity	NPC166712
0.772	Intermediate Similarity	NPC208364
0.7698	Intermediate Similarity	NPC1608
0.7659	Intermediate Similarity	NPC58209
0.7645	Intermediate Similarity	NPC205372
0.7625	Intermediate Similarity	NPC298436
0.7605	Intermediate Similarity	NPC16066
0.7603	Intermediate Similarity	NPC251071
0.7579	Intermediate Similarity	NPC160100
0.7563	Intermediate Similarity	NPC324361
0.753	Intermediate Similarity	NPC217176
0.7469	Intermediate Similarity	NPC97746
0.746	Intermediate Similarity	NPC168922
0.746	Intermediate Similarity	NPC474688
0.7449	Intermediate Similarity	NPC225279
0.7448	Intermediate Similarity	NPC474428
0.7441	Intermediate Similarity	NPC188400
0.7437	Intermediate Similarity	NPC269367
0.7423	Intermediate Similarity	NPC472589
0.7358	Intermediate Similarity	NPC314633
0.7346	Intermediate Similarity	NPC472588
0.7336	Intermediate Similarity	NPC67401
0.7317	Intermediate Similarity	NPC144452
0.7269	Intermediate Similarity	NPC137353
0.7262	Intermediate Similarity	NPC329631
0.7244	Intermediate Similarity	NPC6786
0.7233	Intermediate Similarity	NPC39370
0.7227	Intermediate Similarity	NPC475844
0.7208	Intermediate Similarity	NPC89549
0.7203	Intermediate Similarity	NPC302807
0.7171	Intermediate Similarity	NPC274640
0.7159	Intermediate Similarity	NPC318068
0.7154	Intermediate Similarity	NPC473186
0.7137	Intermediate Similarity	NPC280799
0.7132	Intermediate Similarity	NPC72905
0.7126	Intermediate Similarity	NPC208084
0.7119	Intermediate Similarity	NPC187501
0.7105	Intermediate Similarity	NPC129897
0.7104	Intermediate Similarity	NPC142385
0.7098	Intermediate Similarity	NPC90875
0.7097	Intermediate Similarity	NPC469439
0.7087	Intermediate Similarity	NPC233334
0.7085	Intermediate Similarity	NPC46561
0.708	Intermediate Similarity	NPC94842
0.7077	Intermediate Similarity	NPC124313
0.7072	Intermediate Similarity	NPC473188
0.7068	Intermediate Similarity	NPC198503
0.7056	Intermediate Similarity	NPC288987
0.7049	Intermediate Similarity	NPC146418
0.7047	Intermediate Similarity	NPC474701
0.7027	Intermediate Similarity	NPC119134
0.7024	Intermediate Similarity	NPC470018
0.7	Intermediate Similarity	NPC207283
0.7	Intermediate Similarity	NPC84164
0.6992	Remote Similarity	NPC39500
0.698	Remote Similarity	NPC316065
0.698	Remote Similarity	NPC289905
0.6969	Remote Similarity	NPC207620
0.6953	Remote Similarity	NPC314222
0.6953	Remote Similarity	NPC196449
0.6944	Remote Similarity	NPC51388
0.6944	Remote Similarity	NPC169716
0.6943	Remote Similarity	NPC183537
0.6941	Remote Similarity	NPC24019
0.6917	Remote Similarity	NPC179287
0.6914	Remote Similarity	NPC45190
0.6911	Remote Similarity	NPC220337
0.6908	Remote Similarity	NPC293151
0.6908	Remote Similarity	NPC15406
0.6889	Remote Similarity	NPC191489
0.6887	Remote Similarity	NPC49547
0.6885	Remote Similarity	NPC166722
0.6883	Remote Similarity	NPC310211
0.6883	Remote Similarity	NPC473180
0.6883	Remote Similarity	NPC308137
0.688	Remote Similarity	NPC184408
0.6875	Remote Similarity	NPC220408
0.6866	Remote Similarity	NPC478045
0.6863	Remote Similarity	NPC74575
0.6846	Remote Similarity	NPC189903
0.6846	Remote Similarity	NPC182907
0.6833	Remote Similarity	NPC112937
0.683	Remote Similarity	NPC161801
0.6825	Remote Similarity	NPC150239
0.6816	Remote Similarity	NPC77878
0.6808	Remote Similarity	NPC108342
0.6808	Remote Similarity	NPC473187
0.6808	Remote Similarity	NPC470017
0.6805	Remote Similarity	NPC270515
0.6802	Remote Similarity	NPC199667
0.6802	Remote Similarity	NPC470020
0.6794	Remote Similarity	NPC304837
0.6794	Remote Similarity	NPC476258
0.6788	Remote Similarity	NPC100734
0.6788	Remote Similarity	NPC315634
0.6788	Remote Similarity	NPC88923
0.6787	Remote Similarity	NPC232225
0.6777	Remote Similarity	NPC471978
0.6774	Remote Similarity	NPC9894
0.6773	Remote Similarity	NPC169402
0.6772	Remote Similarity	NPC210434
0.6769	Remote Similarity	NPC253675
0.6768	Remote Similarity	NPC49672
0.6765	Remote Similarity	NPC473833
0.6764	Remote Similarity	NPC227824
0.6764	Remote Similarity	NPC471979
0.6761	Remote Similarity	NPC473181
0.676	Remote Similarity	NPC116238
0.6758	Remote Similarity	NPC200888
0.6754	Remote Similarity	NPC133609
0.6746	Remote Similarity	NPC247803
0.6735	Remote Similarity	NPC137929
0.6735	Remote Similarity	NPC164374
0.6731	Remote Similarity	NPC22481
0.6718	Remote Similarity	NPC476999
0.6716	Remote Similarity	NPC53534
0.6707	Remote Similarity	NPC294375
0.6707	Remote Similarity	NPC300156
0.6706	Remote Similarity	NPC216612
0.6706	Remote Similarity	NPC314552
0.6704	Remote Similarity	NPC244543
0.6693	Remote Similarity	NPC202503
0.6692	Remote Similarity	NPC196718
0.6692	Remote Similarity	NPC208522
0.668	Remote Similarity	NPC278525
0.668	Remote Similarity	NPC249583
0.6667	Remote Similarity	NPC120239
0.6667	Remote Similarity	NPC470930
0.6667	Remote Similarity	NPC189079
0.6654	Remote Similarity	NPC477587
0.6654	Remote Similarity	NPC13603
0.6654	Remote Similarity	NPC477589
0.6654	Remote Similarity	NPC165964
0.6654	Remote Similarity	NPC473449
0.6654	Remote Similarity	NPC470022
0.6642	Remote Similarity	NPC210296
0.6642	Remote Similarity	NPC148889
0.6641	Remote Similarity	NPC476220
0.6641	Remote Similarity	NPC160113
0.6641	Remote Similarity	NPC476997
0.663	Remote Similarity	NPC152620
0.663	Remote Similarity	NPC132385
0.6628	Remote Similarity	NPC102593
0.6627	Remote Similarity	NPC174760
0.6627	Remote Similarity	NPC118228
0.6618	Remote Similarity	NPC85879
0.6618	Remote Similarity	NPC475301
0.6618	Remote Similarity	NPC326930
0.6618	Remote Similarity	NPC53255
0.6617	Remote Similarity	NPC113455
0.6615	Remote Similarity	NPC322482
0.6615	Remote Similarity	NPC476996
0.6615	Remote Similarity	NPC476998
0.6613	Remote Similarity	NPC308943
0.6613	Remote Similarity	NPC222561
0.6613	Remote Similarity	NPC321428
0.6606	Remote Similarity	NPC284685
0.6604	Remote Similarity	NPC477585
0.6604	Remote Similarity	NPC477590
0.6604	Remote Similarity	NPC477586
0.6604	Remote Similarity	NPC477588
0.6593	Remote Similarity	NPC478083
0.6587	Remote Similarity	NPC30749
0.6586	Remote Similarity	NPC470280
0.6581	Remote Similarity	NPC471015
0.658	Remote Similarity	NPC218388
0.6577	Remote Similarity	NPC315914
0.6577	Remote Similarity	NPC476994
0.6567	Remote Similarity	NPC471013
0.6567	Remote Similarity	NPC180668
0.6567	Remote Similarity	NPC148896
0.6561	Remote Similarity	NPC146976
0.6561	Remote Similarity	NPC55470
0.656	Remote Similarity	NPC471303
0.6559	Remote Similarity	NPC41216
0.6549	Remote Similarity	NPC172355
0.6549	Remote Similarity	NPC279589
0.6546	Remote Similarity	NPC283117
0.654	Remote Similarity	NPC316292
0.6538	Remote Similarity	NPC478078
0.6534	Remote Similarity	NPC303951
0.6534	Remote Similarity	NPC219664
0.6534	Remote Similarity	NPC328928
0.6531	Remote Similarity	NPC10904
0.6529	Remote Similarity	NPC475190
0.6528	Remote Similarity	NPC476995
0.6527	Remote Similarity	NPC227033

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC230683 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	371
0.1-0.2	756
0.2-0.3	1207
0.3-0.4	2200
0.4-0.5	2851
0.5-0.6	1502
0.6-0.7	255
0.7-0.8	19
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7479	Intermediate Similarity	NPD6974	Phase 3
0.746	Intermediate Similarity	NPD1505	Phase 2
0.7419	Intermediate Similarity	NPD5924	Discontinued
0.7382	Intermediate Similarity	NPD2778	Approved
0.7288	Intermediate Similarity	NPD2779	Approved
0.7284	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD7417	Discontinued
0.7202	Intermediate Similarity	NPD3945	Discontinued
0.7183	Intermediate Similarity	NPD1867	Approved
0.7132	Intermediate Similarity	NPD6716	Phase 1
0.7098	Intermediate Similarity	NPD2951	Discontinued
0.7097	Intermediate Similarity	NPD7180	Phase 3
0.7075	Intermediate Similarity	NPD5479	Discontinued
0.707	Intermediate Similarity	NPD3250	Phase 1
0.7045	Intermediate Similarity	NPD5443	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7028	Intermediate Similarity	NPD7690	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD6745	Discontinued
0.6944	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD4898	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD1166	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD7853	Phase 2
0.6917	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD7708	Approved
0.6885	Remote Similarity	NPD5429	Discontinued
0.688	Remote Similarity	NPD7395	Discontinued
0.6856	Remote Similarity	NPD5488	Discontinued
0.6856	Remote Similarity	NPD5817	Discontinued
0.6848	Remote Similarity	NPD1466	Phase 3
0.6848	Remote Similarity	NPD1467	Approved
0.6846	Remote Similarity	NPD4846	Phase 2
0.6827	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD8357	Approved
0.6791	Remote Similarity	NPD5857	Phase 3
0.6788	Remote Similarity	NPD7803	Approved
0.6784	Remote Similarity	NPD3925	Approved
0.6779	Remote Similarity	NPD5482	Discontinued
0.6758	Remote Similarity	NPD3263	Phase 3
0.6757	Remote Similarity	NPD3746	Discontinued
0.6752	Remote Similarity	NPD6456	Discontinued
0.6749	Remote Similarity	NPD6321	Discontinued
0.6739	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD6475	Phase 2
0.6706	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD5164	Discontinued
0.6705	Remote Similarity	NPD6790	Phase 1
0.6704	Remote Similarity	NPD5532	Phase 2
0.6693	Remote Similarity	NPD3257	Approved
0.6693	Remote Similarity	NPD5850	Phase 3
0.668	Remote Similarity	NPD4952	Phase 3
0.6667	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2081	Clinical (unspecified phase)
0.6654	Remote Similarity	NPD7688	Phase 1
0.6654	Remote Similarity	NPD3258	Approved
0.6642	Remote Similarity	NPD8463	Approved
0.6641	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.663	Remote Similarity	NPD8461	Discontinued
0.6626	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD3006	Discontinued
0.6606	Remote Similarity	NPD7956	Approved
0.6606	Remote Similarity	NPD7955	Approved
0.6603	Remote Similarity	NPD4373	Phase 2
0.6602	Remote Similarity	NPD4328	Approved
0.66	Remote Similarity	NPD3392	Approved
0.6592	Remote Similarity	NPD6495	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD6530	Approved
0.6582	Remote Similarity	NPD6531	Approved
0.6575	Remote Similarity	NPD6719	Approved
0.6573	Remote Similarity	NPD3507	Phase 2
0.6568	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD7022	Phase 2
0.6552	Remote Similarity	NPD1659	Phase 1
0.655	Remote Similarity	NPD7278	Phase 2
0.655	Remote Similarity	NPD7279	Phase 2
0.6545	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6527	Remote Similarity	NPD8067	Phase 3
0.6527	Remote Similarity	NPD6962	Phase 2
0.6525	Remote Similarity	NPD6104	Discontinued
0.652	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD7654	Discontinued
0.6512	Remote Similarity	NPD6995	Phase 1
0.6505	Remote Similarity	NPD1955	Discontinued
0.6502	Remote Similarity	NPD7031	Phase 1
0.65	Remote Similarity	NPD7925	Phase 2
0.65	Remote Similarity	NPD7924	Phase 2
0.6498	Remote Similarity	NPD7862	Clinical (unspecified phase)
0.6496	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD8102	Discontinued
0.6493	Remote Similarity	NPD1483	Discontinued
0.6487	Remote Similarity	NPD5450	Discontinued
0.648	Remote Similarity	NPD7453	Approved
0.648	Remote Similarity	NPD7222	Phase 2
0.648	Remote Similarity	NPD7452	Approved
0.6479	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD6625	Approved
0.6475	Remote Similarity	NPD5512	Phase 3
0.6466	Remote Similarity	NPD7048	Phase 3
0.6466	Remote Similarity	NPD7053	Clinical (unspecified phase)
0.6448	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6443	Remote Similarity	NPD5416	Discontinued
0.6443	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6426	Remote Similarity	NPD5022	Discontinued
0.6421	Remote Similarity	NPD8100	Phase 3
0.6421	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.642	Remote Similarity	NPD4429	Discontinued
0.642	Remote Similarity	NPD5632	Approved
0.6418	Remote Similarity	NPD7886	Phase 2
0.6418	Remote Similarity	NPD7885	Phase 2
0.6418	Remote Similarity	NPD8016	Phase 3
0.6418	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6412	Remote Similarity	NPD7994	Phase 2
0.641	Remote Similarity	NPD3809	Discontinued
0.6404	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.64	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6395	Remote Similarity	NPD3875	Discontinued
0.6381	Remote Similarity	NPD4394	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD5922	Phase 3
0.6371	Remote Similarity	NPD6242	Discontinued
0.6367	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6367	Remote Similarity	NPD4418	Discontinued
0.6367	Remote Similarity	NPD5293	Phase 2
0.6364	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6357	Remote Similarity	NPD6568	Discontinued
0.635	Remote Similarity	NPD8101	Phase 3
0.6348	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6343	Remote Similarity	NPD4368	Phase 2
0.6341	Remote Similarity	NPD6550	Discontinued
0.6337	Remote Similarity	NPD8358	Approved
0.6332	Remote Similarity	NPD2899	Discontinued
0.632	Remote Similarity	NPD7626	Approved
0.632	Remote Similarity	NPD7627	Approved
0.6318	Remote Similarity	NPD8492	Approved
0.6314	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.631	Remote Similarity	NPD8459	Approved
0.631	Remote Similarity	NPD8460	Approved
0.631	Remote Similarity	NPD6245	Phase 2
0.631	Remote Similarity	NPD3842	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD3801	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6304	Remote Similarity	NPD1638	Discovery
0.6298	Remote Similarity	NPD7181	Phase 3
0.6295	Remote Similarity	NPD2920	Discontinued
0.6291	Remote Similarity	NPD8367	Approved
0.6289	Remote Similarity	NPD5866	Approved
0.6288	Remote Similarity	NPD3899	Clinical (unspecified phase)
0.6288	Remote Similarity	NPD3259	Approved
0.6268	Remote Similarity	NPD6983	Approved
0.6255	Remote Similarity	NPD4885	Approved
0.625	Remote Similarity	NPD6517	Phase 3
0.625	Remote Similarity	NPD4502	Phase 2
0.623	Remote Similarity	NPD1898	Discontinued
0.6228	Remote Similarity	NPD8467	Approved
0.6228	Remote Similarity	NPD8428	Approved
0.6228	Remote Similarity	NPD8427	Approved
0.6228	Remote Similarity	NPD8465	Approved
0.6228	Remote Similarity	NPD8429	Approved
0.6228	Remote Similarity	NPD8466	Approved
0.6226	Remote Similarity	NPD7069	Discontinued
0.6226	Remote Similarity	NPD7301	Phase 3
0.6223	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.6222	Remote Similarity	NPD5805	Approved
0.6221	Remote Similarity	NPD4923	Phase 1
0.6218	Remote Similarity	NPD7868	Clinical (unspecified phase)
0.6214	Remote Similarity	NPD5256	Discontinued
0.6207	Remote Similarity	NPD3763	Approved
0.6204	Remote Similarity	NPD2565	Phase 2
0.6204	Remote Similarity	NPD7921	Approved
0.6204	Remote Similarity	NPD2564	Approved
0.6198	Remote Similarity	NPD6997	Phase 2
0.6198	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6196	Remote Similarity	NPD7467	Discontinued
0.6189	Remote Similarity	NPD8364	Approved
0.6189	Remote Similarity	NPD8363	Approved
0.6185	Remote Similarity	NPD3752	Phase 2
0.6185	Remote Similarity	NPD7490	Discontinued
0.6185	Remote Similarity	NPD5003	Discontinued
0.6182	Remote Similarity	NPD8359	Phase 2
0.618	Remote Similarity	NPD4981	Phase 2
0.618	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6178	Remote Similarity	NPD6169	Phase 1
0.6171	Remote Similarity	NPD6494	Phase 2
0.6169	Remote Similarity	NPD6198	Phase 1
0.6169	Remote Similarity	NPD1926	Approved
0.6167	Remote Similarity	NPD5459	Phase 2
0.6165	Remote Similarity	NPD2311	Clinical (unspecified phase)
0.6159	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6157	Remote Similarity	NPD8091	Phase 3
0.6157	Remote Similarity	NPD5050	Approved
0.6154	Remote Similarity	NPD1852	Discontinued
0.6151	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6148	Remote Similarity	NPD6964	Approved
0.6148	Remote Similarity	NPD6963	Approved
0.6146	Remote Similarity	NPD7689	Approved
0.6146	Remote Similarity	NPD8365	Clinical (unspecified phase)

Structure

CID230683 OpenBabel06191716022D 24 28 0 0 0 0 0 0 0 0999 V2000 -1.8826 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 -5.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -4.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1596 -2.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -2.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 -3.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6399 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 -0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 -2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 -3.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -1.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 -2.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 -1.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 -4.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 -2.4050 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 11 1 0 0 0 0 2 12 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 16 1 0 0 0 0 12 22 2 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11186248
ChEMBL	CHEMBL450365
ZINC

Physicochemical Properties

Molecular Weight:	319.16
ALogP:	1.1361
MLogP:	3.44
XLogP:	6.184
# Rotatable Bonds:	4
Polar Surface Area:	39.17
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	24

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