NPASS Natural Product

Natural Product: NPC297862

Natural Product ID:	NPC297862
Common Name:	Chaetocochin C
IUPAC Name:
Synonyms:	Chaetocochin C
Molecular Formula:	C33H36N6O6S4
Standard InCHIKey:	DNXUJPNYOCDWFN-ZIBPZDQUSA-N
Standard InCHI:	InChI=1S/C33H36N6O6S4/c1-35-27(44)32(17-40,47-5)36(2)25(42)30(35,46-4)14-19-15-38(23-13-9-6-10-20(19)23)29-16-31-26(43)37(3)33(18-41,49-48-31)28(45)39(31)24(29)34-22-12-8-7-11-21(22)29/h6-13,15,24,34,40-41H,14,16-18H2,1-5H3/t24-,29+,30+,31+,32+,33+/m1/s1
Canonical SMILES:	CS[C@]1(Cc2cn(c3c2cccc3)[C@@]23C[C@]45N([C@H]3Nc3c2cccc3)C(=O)[C@](SS4)(N(C5=O)C)CO)N(C)C(=O)[C@](N(C1=O)C)(CO)SC
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
NPO9444	Chaetomium cochliodes	Species	Chaetomiaceae	Eukaryota				PMID[16989540]

Biological Activity

Activity Type	# Activity
GI50	3

Activity Type	# Activity
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		GI50	=	0.4	ug/ml	22834941
NPT2	Others	Unspecified		GI50	=	1.9	ug/ml	22834941

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 NPC297862 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	341
0.1-0.2	3039
0.2-0.3	16135
0.3-0.4	7442
0.4-0.5	1438
0.5-0.6	1651
0.6-0.7	748
0.7-0.8	76
0.8-0.85	6
0.85-0.9	8
0.9-0.95	1
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9851	High Similarity	NPC19170
0.9559	High Similarity	NPC312942
0.9559	High Similarity	NPC327095
0.9512	High Similarity	NPC40455
0.9463	High Similarity	NPC253987
0.8986	High Similarity	NPC470731
0.8957	High Similarity	NPC476817
0.8714	High Similarity	NPC470732
0.863	High Similarity	NPC63279
0.8591	High Similarity	NPC297642
0.8539	High Similarity	NPC475859
0.8539	High Similarity	NPC475969
0.85	High Similarity	NPC165743
0.8493	Intermediate Similarity	NPC477175
0.8493	Intermediate Similarity	NPC470730
0.8288	Intermediate Similarity	NPC477177
0.8288	Intermediate Similarity	NPC474877
0.8243	Intermediate Similarity	NPC470729
0.8243	Intermediate Similarity	NPC477176
0.7981	Intermediate Similarity	NPC294693
0.7824	Intermediate Similarity	NPC54420
0.7752	Intermediate Similarity	NPC162860
0.7703	Intermediate Similarity	NPC128582
0.7568	Intermediate Similarity	NPC110602
0.7568	Intermediate Similarity	NPC75726
0.7568	Intermediate Similarity	NPC31385
0.7535	Intermediate Similarity	NPC171317
0.7511	Intermediate Similarity	NPC223791
0.7511	Intermediate Similarity	NPC107077
0.7478	Intermediate Similarity	NPC477714
0.7466	Intermediate Similarity	NPC470491
0.7454	Intermediate Similarity	NPC473640
0.7447	Intermediate Similarity	NPC478028
0.7434	Intermediate Similarity	NPC477715
0.7432	Intermediate Similarity	NPC478158
0.7431	Intermediate Similarity	NPC475506
0.7424	Intermediate Similarity	NPC31097
0.7414	Intermediate Similarity	NPC56109
0.7414	Intermediate Similarity	NPC191382
0.7411	Intermediate Similarity	NPC75634
0.7397	Intermediate Similarity	NPC155143
0.7393	Intermediate Similarity	NPC94752
0.7384	Intermediate Similarity	NPC478029
0.738	Intermediate Similarity	NPC474896
0.7358	Intermediate Similarity	NPC17059
0.7356	Intermediate Similarity	NPC11126
0.7345	Intermediate Similarity	NPC478157
0.7336	Intermediate Similarity	NPC272174
0.733	Intermediate Similarity	NPC473376
0.7325	Intermediate Similarity	NPC281049
0.7309	Intermediate Similarity	NPC471945
0.7309	Intermediate Similarity	NPC475259
0.7309	Intermediate Similarity	NPC471950
0.7299	Intermediate Similarity	NPC228835
0.7285	Intermediate Similarity	NPC477179
0.7277	Intermediate Similarity	NPC471946
0.7277	Intermediate Similarity	NPC471951
0.7273	Intermediate Similarity	NPC155444
0.7264	Intermediate Similarity	NPC308931
0.7264	Intermediate Similarity	NPC99939
0.726	Intermediate Similarity	NPC100321
0.7252	Intermediate Similarity	NPC477181
0.7252	Intermediate Similarity	NPC477178
0.7252	Intermediate Similarity	NPC254850
0.7252	Intermediate Similarity	NPC477180
0.7246	Intermediate Similarity	NPC161861
0.7243	Intermediate Similarity	NPC213629
0.7234	Intermediate Similarity	NPC69843
0.7225	Intermediate Similarity	NPC54744
0.722	Intermediate Similarity	NPC477174
0.722	Intermediate Similarity	NPC477173
0.722	Intermediate Similarity	NPC470490
0.7212	Intermediate Similarity	NPC320968
0.7188	Intermediate Similarity	NPC470488
0.7176	Intermediate Similarity	NPC117244
0.7176	Intermediate Similarity	NPC473763
0.7168	Intermediate Similarity	NPC191817
0.7168	Intermediate Similarity	NPC475359
0.7154	Intermediate Similarity	NPC14812
0.715	Intermediate Similarity	NPC141612
0.715	Intermediate Similarity	NPC17273
0.715	Intermediate Similarity	NPC135601
0.7143	Intermediate Similarity	NPC471386
0.7104	Intermediate Similarity	NPC293917
0.7094	Intermediate Similarity	NPC64216
0.7075	Intermediate Similarity	NPC16659
0.7054	Intermediate Similarity	NPC317701
0.7054	Intermediate Similarity	NPC28945
0.7053	Intermediate Similarity	NPC56233
0.7029	Intermediate Similarity	NPC89987
0.7028	Intermediate Similarity	NPC265710
0.7027	Intermediate Similarity	NPC314176
0.7005	Intermediate Similarity	NPC103119
0.7005	Intermediate Similarity	NPC255909
0.7004	Intermediate Similarity	NPC476491
0.6995	Remote Similarity	NPC91179
0.699	Remote Similarity	NPC194881
0.6988	Remote Similarity	NPC478012
0.6988	Remote Similarity	NPC153400
0.6988	Remote Similarity	NPC478011
0.6981	Remote Similarity	NPC473380
0.6981	Remote Similarity	NPC240088
0.698	Remote Similarity	NPC242872
0.698	Remote Similarity	NPC314056
0.698	Remote Similarity	NPC263117
0.698	Remote Similarity	NPC125181
0.6971	Remote Similarity	NPC325976
0.6967	Remote Similarity	NPC469938
0.696	Remote Similarity	NPC323927
0.6955	Remote Similarity	NPC304203
0.6941	Remote Similarity	NPC476460
0.694	Remote Similarity	NPC471192
0.6933	Remote Similarity	NPC182507
0.693	Remote Similarity	NPC163055
0.6929	Remote Similarity	NPC220852
0.6927	Remote Similarity	NPC321708
0.6919	Remote Similarity	NPC242269
0.6916	Remote Similarity	NPC24864
0.6914	Remote Similarity	NPC285343
0.6912	Remote Similarity	NPC478077
0.691	Remote Similarity	NPC238945
0.6906	Remote Similarity	NPC474389
0.6905	Remote Similarity	NPC91895
0.6899	Remote Similarity	NPC478013
0.6888	Remote Similarity	NPC477516
0.6883	Remote Similarity	NPC471194
0.6883	Remote Similarity	NPC471193
0.6883	Remote Similarity	NPC153980
0.6883	Remote Similarity	NPC6865
0.688	Remote Similarity	NPC473310
0.6875	Remote Similarity	NPC326363
0.6866	Remote Similarity	NPC133003
0.6858	Remote Similarity	NPC476874
0.6854	Remote Similarity	NPC280852
0.6852	Remote Similarity	NPC470205
0.684	Remote Similarity	NPC72956
0.6838	Remote Similarity	NPC79386
0.683	Remote Similarity	NPC34837
0.683	Remote Similarity	NPC52557
0.6822	Remote Similarity	NPC248454
0.6822	Remote Similarity	NPC64436
0.682	Remote Similarity	NPC477003
0.6816	Remote Similarity	NPC477633
0.6812	Remote Similarity	NPC221786
0.6812	Remote Similarity	NPC474880
0.6809	Remote Similarity	NPC475736
0.68	Remote Similarity	NPC153123
0.68	Remote Similarity	NPC201266
0.68	Remote Similarity	NPC474318
0.68	Remote Similarity	NPC268744
0.68	Remote Similarity	NPC220797
0.68	Remote Similarity	NPC475914
0.6798	Remote Similarity	NPC214827
0.6798	Remote Similarity	NPC314930
0.6797	Remote Similarity	NPC475422
0.6794	Remote Similarity	NPC321939
0.6792	Remote Similarity	NPC475258
0.6791	Remote Similarity	NPC248462
0.6783	Remote Similarity	NPC87755
0.678	Remote Similarity	NPC200214
0.6774	Remote Similarity	NPC143533
0.6773	Remote Similarity	NPC175474
0.677	Remote Similarity	NPC470497
0.677	Remote Similarity	NPC13456
0.677	Remote Similarity	NPC166209
0.677	Remote Similarity	NPC77241
0.677	Remote Similarity	NPC269203
0.6759	Remote Similarity	NPC314882
0.6759	Remote Similarity	NPC15840
0.6757	Remote Similarity	NPC315467
0.675	Remote Similarity	NPC24370
0.675	Remote Similarity	NPC319232
0.6748	Remote Similarity	NPC476219
0.6743	Remote Similarity	NPC467063
0.674	Remote Similarity	NPC300183
0.6731	Remote Similarity	NPC276085
0.6731	Remote Similarity	NPC478009
0.6731	Remote Similarity	NPC478010
0.6726	Remote Similarity	NPC313421
0.6726	Remote Similarity	NPC326422
0.6725	Remote Similarity	NPC470489
0.6725	Remote Similarity	NPC88115
0.6719	Remote Similarity	NPC478006
0.6714	Remote Similarity	NPC271797
0.6714	Remote Similarity	NPC469813
0.6714	Remote Similarity	NPC78375
0.6714	Remote Similarity	NPC476446
0.6714	Remote Similarity	NPC21174
0.6713	Remote Similarity	NPC248041
0.6713	Remote Similarity	NPC126709
0.6713	Remote Similarity	NPC283219
0.6712	Remote Similarity	NPC276430
0.6711	Remote Similarity	NPC193761
0.6711	Remote Similarity	NPC227582
0.671	Remote Similarity	NPC475024
0.6708	Remote Similarity	NPC474196
0.6707	Remote Similarity	NPC477107
0.6707	Remote Similarity	NPC477109
0.6707	Remote Similarity	NPC477108
0.6706	Remote Similarity	NPC477630

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC297862 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	194
0.1-0.2	620
0.2-0.3	1227
0.3-0.4	2201
0.4-0.5	2126
0.5-0.6	2019
0.6-0.7	721
0.7-0.8	53
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
0.7647	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7642	Intermediate Similarity	NPD7619	Phase 3
0.7642	Intermediate Similarity	NPD7618	Phase 3
0.7512	Intermediate Similarity	NPD7903	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7970	Approved
0.7489	Intermediate Similarity	NPD8272	Phase 2
0.7436	Intermediate Similarity	NPD7950	Approved
0.7436	Intermediate Similarity	NPD7952	Approved
0.7436	Intermediate Similarity	NPD7789	Approved
0.7436	Intermediate Similarity	NPD7953	Approved
0.7436	Intermediate Similarity	NPD7951	Approved
0.7436	Intermediate Similarity	NPD7790	Approved
0.7436	Intermediate Similarity	NPD7791	Approved
0.7414	Intermediate Similarity	NPD7780	Approved
0.7414	Intermediate Similarity	NPD7781	Approved
0.7399	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD7661	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD6044	Discontinued
0.7333	Intermediate Similarity	NPD7195	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD8114	Approved
0.733	Intermediate Similarity	NPD8115	Approved
0.7328	Intermediate Similarity	NPD8289	Discontinued
0.7315	Intermediate Similarity	NPD7944	Discontinued
0.7296	Intermediate Similarity	NPD7731	Approved
0.7296	Intermediate Similarity	NPD7730	Approved
0.7281	Intermediate Similarity	NPD8000	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD6269	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD6268	Phase 1
0.7234	Intermediate Similarity	NPD7824	Approved
0.721	Intermediate Similarity	NPD7271	Approved
0.7188	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD7711	Discontinued
0.7175	Intermediate Similarity	NPD8169	Discontinued
0.7156	Intermediate Similarity	NPD7666	Phase 3
0.7156	Intermediate Similarity	NPD7665	Phase 2
0.7137	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD7564	Discontinued
0.7117	Intermediate Similarity	NPD7817	Phase 1
0.7104	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD8250	Phase 2
0.7098	Intermediate Similarity	NPD7712	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD6664	Approved
0.707	Intermediate Similarity	NPD5820	Clinical (unspecified phase)
0.7061	Intermediate Similarity	NPD7470	Discontinued
0.7037	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD8322	Phase 2
0.7014	Intermediate Similarity	NPD2880	Discontinued
0.7005	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7004	Intermediate Similarity	NPD2443	Approved
0.7004	Intermediate Similarity	NPD2442	Approved
0.7	Intermediate Similarity	NPD8094	Discontinued
0.6996	Remote Similarity	NPD5198	Approved
0.6996	Remote Similarity	NPD5199	Approved
0.6978	Remote Similarity	NPD8072	Approved
0.6968	Remote Similarity	NPD7023	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD3961	Discontinued
0.6957	Remote Similarity	NPD8093	Discontinued
0.6951	Remote Similarity	NPD7049	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD5426	Phase 3
0.6943	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD6165	Phase 2
0.6933	Remote Similarity	NPD6164	Phase 2
0.693	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD7026	Phase 2
0.691	Remote Similarity	NPD8258	Clinical (unspecified phase)
0.691	Remote Similarity	NPD8256	Approved
0.691	Remote Similarity	NPD8257	Approved
0.6909	Remote Similarity	NPD4615	Phase 2
0.6908	Remote Similarity	NPD6771	Discontinued
0.6889	Remote Similarity	NPD7727	Phase 2
0.6889	Remote Similarity	NPD5017	Discontinued
0.6886	Remote Similarity	NPD6328	Clinical (unspecified phase)
0.688	Remote Similarity	NPD6470	Phase 3
0.6875	Remote Similarity	NPD6999	Discontinued
0.6875	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD7208	Approved
0.6872	Remote Similarity	NPD7207	Approved
0.6872	Remote Similarity	NPD7209	Approved
0.6864	Remote Similarity	NPD6180	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD6615	Clinical (unspecified phase)
0.686	Remote Similarity	NPD8047	Clinical (unspecified phase)
0.686	Remote Similarity	NPD6454	Clinical (unspecified phase)
0.6858	Remote Similarity	NPD8073	Approved
0.6842	Remote Similarity	NPD5491	Phase 3
0.6842	Remote Similarity	NPD5489	Phase 1
0.6842	Remote Similarity	NPD7001	Phase 3
0.6838	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD8484	Phase 2
0.6838	Remote Similarity	NPD2787	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD8406	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD6595	Phase 3
0.6826	Remote Similarity	NPD2408	Discontinued
0.6826	Remote Similarity	NPD7704	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD5884	Clinical (unspecified phase)
0.682	Remote Similarity	NPD7603	Discontinued
0.682	Remote Similarity	NPD7483	Phase 2
0.682	Remote Similarity	NPD7482	Phase 2
0.6816	Remote Similarity	NPD7818	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7027	Phase 3
0.6812	Remote Similarity	NPD5864	Phase 2
0.681	Remote Similarity	NPD8458	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD6173	Approved
0.6804	Remote Similarity	NPD7394	Phase 2
0.6803	Remote Similarity	NPD6986	Phase 1
0.68	Remote Similarity	NPD2405	Phase 3
0.68	Remote Similarity	NPD6137	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD3015	Discontinued
0.6781	Remote Similarity	NPD8488	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD5986	Approved
0.6778	Remote Similarity	NPD5987	Approved
0.6771	Remote Similarity	NPD7024	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD2849	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD4614	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD750	Phase 2
0.6759	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6754	Remote Similarity	NPD5487	Phase 1
0.6752	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6751	Remote Similarity	NPD6210	Phase 3
0.6737	Remote Similarity	NPD6578	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD5322	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD5590	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD5274	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD4051	Discontinued
0.6724	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD7543	Phase 2
0.6714	Remote Similarity	NPD3583	Phase 2
0.6712	Remote Similarity	NPD8240	Discontinued
0.6712	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.671	Remote Similarity	NPD4959	Approved
0.671	Remote Similarity	NPD6520	Phase 3
0.671	Remote Similarity	NPD6521	Phase 3
0.671	Remote Similarity	NPD4960	Approved
0.6709	Remote Similarity	NPD7557	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6697	Remote Similarity	NPD7175	Phase 1
0.6697	Remote Similarity	NPD2850	Phase 1
0.6697	Remote Similarity	NPD2851	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD7957	Phase 1
0.6694	Remote Similarity	NPD7888	Approved
0.6694	Remote Similarity	NPD7887	Approved
0.6682	Remote Similarity	NPD5809	Phase 3
0.6681	Remote Similarity	NPD7204	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD4364	Phase 1
0.6667	Remote Similarity	NPD7716	Approved
0.6667	Remote Similarity	NPD3506	Approved
0.6667	Remote Similarity	NPD7111	Discontinued
0.6667	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7717	Approved
0.6667	Remote Similarity	NPD2096	Phase 2
0.6667	Remote Similarity	NPD6178	Phase 3
0.6667	Remote Similarity	NPD2091	Phase 2
0.6667	Remote Similarity	NPD4415	Approved
0.6667	Remote Similarity	NPD3505	Approved
0.6652	Remote Similarity	NPD6249	Phase 2
0.6652	Remote Similarity	NPD6288	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD6248	Phase 2
0.6641	Remote Similarity	NPD5461	Discontinued
0.6639	Remote Similarity	NPD8317	Phase 2
0.6639	Remote Similarity	NPD8372	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD8316	Phase 2
0.6637	Remote Similarity	NPD3830	Phase 1
0.6637	Remote Similarity	NPD5446	Phase 2
0.6636	Remote Similarity	NPD4076	Approved
0.6636	Remote Similarity	NPD4079	Approved
0.6623	Remote Similarity	NPD4600	Approved
0.6623	Remote Similarity	NPD2008	Discontinued
0.6623	Remote Similarity	NPD4601	Approved
0.6623	Remote Similarity	NPD6271	Approved
0.6623	Remote Similarity	NPD7289	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD4602	Approved
0.6621	Remote Similarity	NPD2092	Phase 2
0.6621	Remote Similarity	NPD2095	Phase 2
0.6621	Remote Similarity	NPD2094	Phase 2
0.662	Remote Similarity	NPD4075	Phase 2
0.662	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.662	Remote Similarity	NPD5021	Discontinued
0.6619	Remote Similarity	NPD2511	Approved
0.661	Remote Similarity	NPD8242	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD6665	Discontinued
0.6607	Remote Similarity	NPD4922	Phase 2
0.6607	Remote Similarity	NPD3430	Approved
0.6607	Remote Similarity	NPD3431	Approved
0.6604	Remote Similarity	NPD2719	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD2720	Phase 1
0.6596	Remote Similarity	NPD2411	Approved
0.6595	Remote Similarity	NPD3905	Phase 3
0.6595	Remote Similarity	NPD1506	Discontinued
0.6578	Remote Similarity	NPD2717	Phase 2
0.6574	Remote Similarity	NPD482	Approved
0.6571	Remote Similarity	NPD5935	Discontinued
0.6564	Remote Similarity	NPD4473	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD6224	Clinical (unspecified phase)

Structure

NPC297862 OpenBabel07101718322D 49 56 0 0 1 0 0 0 0 0999 V2000 6.8153 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1526 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0403 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6729 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -3.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9189 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9189 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 -2.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9653 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3696 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 -0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8808 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 -1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 1.3013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5796 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3883 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 0.4971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9953 -0.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7219 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9726 -0.1113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.9941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2516 2.1056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3996 0.5891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5682 -1.0194 0.0000 N 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 3.9546 -0.2059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7219 0.9941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6850 0.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 -2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -1.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 2.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 0.5546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 0.4731 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -0.4971 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 20 2 0 0 0 0 11 21 2 0 0 0 0 12 22 2 0 0 0 0 13 23 2 0 0 0 0 14 19 1 0 0 0 0 15 19 2 0 0 0 0 15 38 1 0 0 0 0 16 31 1 0 0 0 0 17 40 1 0 0 0 0 18 33 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 22 34 1 0 0 0 0 23 38 1 0 0 0 0 24 29 1 1 0 0 0 24 34 1 0 0 0 0 24 39 1 0 0 0 0 25 30 1 0 0 0 0 25 36 1 0 0 0 0 25 42 2 0 0 0 0 26 37 1 0 0 0 0 26 43 2 0 0 0 0 27 32 1 0 0 0 0 27 35 1 0 0 0 0 27 44 2 0 0 0 0 28 33 1 0 0 0 0 28 39 1 0 0 0 0 28 45 2 0 0 0 0 29 16 1 1 0 0 0 29 38 1 0 0 0 0 30 14 1 1 0 0 0 30 35 1 0 0 0 0 30 46 1 0 0 0 0 31 26 1 6 0 0 0 31 39 1 0 0 0 0 31 48 1 0 0 0 0 32 17 1 1 0 0 0 32 36 1 0 0 0 0 32 47 1 0 0 0 0 33 37 1 0 0 0 0 33 49 1 1 0 0 0 48 49 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44559109
ChEMBL	CHEMBL504373
ZINC

Physicochemical Properties

Molecular Weight:	740.16
ALogP:	-0.7246
MLogP:	3.33
XLogP:	1.817
# Rotatable Bonds:	14
Polar Surface Area:	239.86
# H-Bond Aceptor:	12
# H-Bond Donor:	3
# Rings:	6
# Heavy Atoms:	49

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