NPASS Natural Product

Natural Product: NPC197326

Natural Product ID:	NPC197326
Common Name:	6-Chloro-4,5,7-Trihydroxy-9,10-Dioxoanthracene-2-Carboxylic Acid
IUPAC Name:	6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Synonyms:
Molecular Formula:	C15H7ClO7
Standard InCHIKey:	JGHTWRZCNLXYPF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)
Canonical SMILES:	OC(=O)c1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)Cl
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
NPO472	Penicillium restrictum	Species	Aspergillaceae	Eukaryota				PMID[24911880]

Biological Activity

Activity Type	# Activity
IC50	3
Ki	1
Others	1

Activity Type	# Activity
Individual Protein	2
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio IC50	>	170		19105653
NPT2	Others	Unspecified		IC50	=	580	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Ki	=	890	nM	22405647
NPT1338	Individual Protein	Sialidase 2	Homo sapiens	IC50	>	100000	nM	10.6019/CHEMBL1201861
NPT4782	Individual Protein	Accessory gene regulator protein A	Staphylococcus aureus	IC50	=	37800	nM	17625894

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 NPC197326 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	383
0.1-0.2	1685
0.2-0.3	3599
0.3-0.4	8298
0.4-0.5	5391
0.5-0.6	5173
0.6-0.7	5279
0.7-0.8	1026
0.8-0.85	47
0.85-0.9	6
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9286	High Similarity	NPC470564
0.9045	High Similarity	NPC470559
0.8875	High Similarity	NPC470561
0.8867	High Similarity	NPC290550
0.882	High Similarity	NPC470563
0.8667	High Similarity	NPC470565
0.8554	High Similarity	NPC470562
0.8503	High Similarity	NPC470560
0.8471	Intermediate Similarity	NPC306240
0.8471	Intermediate Similarity	NPC471907
0.8443	Intermediate Similarity	NPC277865
0.8411	Intermediate Similarity	NPC254847
0.8408	Intermediate Similarity	NPC477569
0.8402	Intermediate Similarity	NPC264922
0.8391	Intermediate Similarity	NPC316091
0.8391	Intermediate Similarity	NPC313386
0.8366	Intermediate Similarity	NPC190457
0.8366	Intermediate Similarity	NPC143438
0.8355	Intermediate Similarity	NPC471905
0.8355	Intermediate Similarity	NPC53414
0.8355	Intermediate Similarity	NPC53206
0.8343	Intermediate Similarity	NPC470422
0.8323	Intermediate Similarity	NPC193555
0.8323	Intermediate Similarity	NPC73061
0.8302	Intermediate Similarity	NPC477566
0.8302	Intermediate Similarity	NPC477567
0.8301	Intermediate Similarity	NPC4214
0.8284	Intermediate Similarity	NPC474857
0.8278	Intermediate Similarity	NPC288089
0.8278	Intermediate Similarity	NPC44437
0.8247	Intermediate Similarity	NPC242994
0.8247	Intermediate Similarity	NPC138099
0.8224	Intermediate Similarity	NPC161632
0.8212	Intermediate Similarity	NPC48036
0.8212	Intermediate Similarity	NPC267205
0.8194	Intermediate Similarity	NPC181560
0.8194	Intermediate Similarity	NPC169452
0.8194	Intermediate Similarity	NPC183345
0.8171	Intermediate Similarity	NPC472404
0.8141	Intermediate Similarity	NPC305845
0.8141	Intermediate Similarity	NPC204045
0.8141	Intermediate Similarity	NPC246638
0.8111	Intermediate Similarity	NPC313541
0.8101	Intermediate Similarity	NPC244691
0.8101	Intermediate Similarity	NPC471906
0.8089	Intermediate Similarity	NPC135524
0.8052	Intermediate Similarity	NPC118919
0.8052	Intermediate Similarity	NPC191976
0.8038	Intermediate Similarity	NPC66593
0.8036	Intermediate Similarity	NPC470081
0.8024	Intermediate Similarity	NPC298401
0.8024	Intermediate Similarity	NPC472405
0.8013	Intermediate Similarity	NPC26924
0.8	Intermediate Similarity	NPC471452
0.8	Intermediate Similarity	NPC280497
0.7988	Intermediate Similarity	NPC58653
0.7988	Intermediate Similarity	NPC173352
0.7987	Intermediate Similarity	NPC48762
0.7987	Intermediate Similarity	NPC21599
0.7987	Intermediate Similarity	NPC193703
0.7976	Intermediate Similarity	NPC473696
0.7976	Intermediate Similarity	NPC474096
0.7975	Intermediate Similarity	NPC474961
0.7962	Intermediate Similarity	NPC315578
0.7962	Intermediate Similarity	NPC203063
0.7952	Intermediate Similarity	NPC263483
0.795	Intermediate Similarity	NPC37709
0.7949	Intermediate Similarity	NPC13715
0.7941	Intermediate Similarity	NPC311679
0.7941	Intermediate Similarity	NPC28669
0.7937	Intermediate Similarity	NPC34482
0.7925	Intermediate Similarity	NPC238629
0.7922	Intermediate Similarity	NPC166480
0.7922	Intermediate Similarity	NPC282780
0.7895	Intermediate Similarity	NPC472032
0.7888	Intermediate Similarity	NPC470570
0.7888	Intermediate Similarity	NPC314437
0.7882	Intermediate Similarity	NPC471685
0.7881	Intermediate Similarity	NPC41263
0.7881	Intermediate Similarity	NPC95537
0.7871	Intermediate Similarity	NPC278375
0.7871	Intermediate Similarity	NPC290803
0.7857	Intermediate Similarity	NPC52407
0.7857	Intermediate Similarity	NPC37299
0.7857	Intermediate Similarity	NPC180261
0.7849	Intermediate Similarity	NPC108948
0.784	Intermediate Similarity	NPC245584
0.784	Intermediate Similarity	NPC289042
0.784	Intermediate Similarity	NPC56433
0.784	Intermediate Similarity	NPC126767
0.784	Intermediate Similarity	NPC118027
0.784	Intermediate Similarity	NPC312929
0.784	Intermediate Similarity	NPC190648
0.7836	Intermediate Similarity	NPC301846
0.7836	Intermediate Similarity	NPC131078
0.7836	Intermediate Similarity	NPC474061
0.7829	Intermediate Similarity	NPC99731
0.7826	Intermediate Similarity	NPC12402
0.7806	Intermediate Similarity	NPC474519
0.7805	Intermediate Similarity	NPC294646
0.7805	Intermediate Similarity	NPC147735
0.7805	Intermediate Similarity	NPC205766
0.7805	Intermediate Similarity	NPC315520
0.78	Intermediate Similarity	NPC10926
0.7799	Intermediate Similarity	NPC110810
0.7797	Intermediate Similarity	NPC151292
0.7792	Intermediate Similarity	NPC70622
0.7791	Intermediate Similarity	NPC172329
0.7791	Intermediate Similarity	NPC2569
0.7784	Intermediate Similarity	NPC474861
0.7778	Intermediate Similarity	NPC73544
0.7771	Intermediate Similarity	NPC214632
0.7771	Intermediate Similarity	NPC208806
0.7765	Intermediate Similarity	NPC191606
0.7764	Intermediate Similarity	NPC227841
0.7764	Intermediate Similarity	NPC19896
0.7763	Intermediate Similarity	NPC282923
0.7763	Intermediate Similarity	NPC179898
0.7756	Intermediate Similarity	NPC80035
0.7748	Intermediate Similarity	NPC8745
0.7746	Intermediate Similarity	NPC184518
0.7742	Intermediate Similarity	NPC115458
0.773	Intermediate Similarity	NPC119767
0.7727	Intermediate Similarity	NPC205992
0.7727	Intermediate Similarity	NPC93015
0.7725	Intermediate Similarity	NPC66029
0.7722	Intermediate Similarity	NPC416
0.7722	Intermediate Similarity	NPC61398
0.7707	Intermediate Similarity	NPC272268
0.7707	Intermediate Similarity	NPC158481
0.7702	Intermediate Similarity	NPC313047
0.7702	Intermediate Similarity	NPC174905
0.7702	Intermediate Similarity	NPC293545
0.7702	Intermediate Similarity	NPC474203
0.7702	Intermediate Similarity	NPC451542
0.7702	Intermediate Similarity	NPC295712
0.7697	Intermediate Similarity	NPC290954
0.7697	Intermediate Similarity	NPC255641
0.7697	Intermediate Similarity	NPC470568
0.7688	Intermediate Similarity	NPC187843
0.7684	Intermediate Similarity	NPC471802
0.7682	Intermediate Similarity	NPC201728
0.7682	Intermediate Similarity	NPC262671
0.7682	Intermediate Similarity	NPC103540
0.7673	Intermediate Similarity	NPC162939
0.7669	Intermediate Similarity	NPC147250
0.7665	Intermediate Similarity	NPC182921
0.7665	Intermediate Similarity	NPC218870
0.7665	Intermediate Similarity	NPC474824
0.7665	Intermediate Similarity	NPC470408
0.7662	Intermediate Similarity	NPC199253
0.7662	Intermediate Similarity	NPC31539
0.7662	Intermediate Similarity	NPC147757
0.7662	Intermediate Similarity	NPC31799
0.7662	Intermediate Similarity	NPC136588
0.7658	Intermediate Similarity	NPC53001
0.7658	Intermediate Similarity	NPC62272
0.7654	Intermediate Similarity	NPC10764
0.7651	Intermediate Similarity	NPC470569
0.765	Intermediate Similarity	NPC220369
0.7643	Intermediate Similarity	NPC72918
0.7643	Intermediate Similarity	NPC283088
0.764	Intermediate Similarity	NPC137649
0.764	Intermediate Similarity	NPC257644
0.7636	Intermediate Similarity	NPC70764
0.7634	Intermediate Similarity	NPC154720
0.7628	Intermediate Similarity	NPC314048
0.7628	Intermediate Similarity	NPC53896
0.7627	Intermediate Similarity	NPC45072
0.7625	Intermediate Similarity	NPC96421
0.7625	Intermediate Similarity	NPC99441
0.7622	Intermediate Similarity	NPC290194
0.7619	Intermediate Similarity	NPC318270
0.7616	Intermediate Similarity	NPC13238
0.761	Intermediate Similarity	NPC87723
0.7609	Intermediate Similarity	NPC214901
0.7605	Intermediate Similarity	NPC40356
0.7605	Intermediate Similarity	NPC154683
0.7605	Intermediate Similarity	NPC175978
0.7597	Intermediate Similarity	NPC92624
0.7595	Intermediate Similarity	NPC472308
0.7595	Intermediate Similarity	NPC223836
0.7593	Intermediate Similarity	NPC471682
0.759	Intermediate Similarity	NPC470107
0.759	Intermediate Similarity	NPC280295
0.759	Intermediate Similarity	NPC119929
0.7586	Intermediate Similarity	NPC107009
0.758	Intermediate Similarity	NPC50924
0.758	Intermediate Similarity	NPC474394
0.758	Intermediate Similarity	NPC12070
0.7578	Intermediate Similarity	NPC37530
0.7576	Intermediate Similarity	NPC153417
0.7574	Intermediate Similarity	NPC146211
0.7571	Intermediate Similarity	NPC471684
0.7564	Intermediate Similarity	NPC478190
0.7564	Intermediate Similarity	NPC175738
0.7562	Intermediate Similarity	NPC92655
0.7561	Intermediate Similarity	NPC163846
0.7561	Intermediate Similarity	NPC225173
0.7561	Intermediate Similarity	NPC85393

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC197326 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	420
0.1-0.2	1065
0.2-0.3	1825
0.3-0.4	3082
0.4-0.5	1879
0.5-0.6	646
0.6-0.7	217
0.7-0.8	26
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
0.8411	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD7390	Discontinued
0.7682	Intermediate Similarity	NPD1470	Approved
0.7658	Intermediate Similarity	NPD5404	Approved
0.7658	Intermediate Similarity	NPD5406	Approved
0.7658	Intermediate Similarity	NPD5405	Approved
0.7658	Intermediate Similarity	NPD5408	Approved
0.7619	Intermediate Similarity	NPD8438	Clinical (unspecified phase)
0.7457	Intermediate Similarity	NPD6232	Discontinued
0.7452	Intermediate Similarity	NPD943	Approved
0.7429	Intermediate Similarity	NPD7473	Discontinued
0.7425	Intermediate Similarity	NPD3226	Approved
0.7417	Intermediate Similarity	NPD1201	Approved
0.7267	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD2533	Approved
0.7186	Intermediate Similarity	NPD2534	Approved
0.7186	Intermediate Similarity	NPD2532	Approved
0.7151	Intermediate Similarity	NPD7819	Suspended
0.7134	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD1164	Approved
0.7055	Intermediate Similarity	NPD1510	Phase 2
0.7037	Intermediate Similarity	NPD1607	Approved
0.7035	Intermediate Similarity	NPD7411	Suspended
0.7032	Intermediate Similarity	NPD9269	Phase 2
0.7029	Intermediate Similarity	NPD3749	Approved
0.702	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD6959	Discontinued
0.6993	Remote Similarity	NPD9268	Approved
0.697	Remote Similarity	NPD2346	Discontinued
0.6946	Remote Similarity	NPD3750	Approved
0.6914	Remote Similarity	NPD1240	Approved
0.6909	Remote Similarity	NPD2935	Discontinued
0.6889	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD2403	Approved
0.6882	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD1465	Phase 2
0.6826	Remote Similarity	NPD1549	Phase 2
0.6824	Remote Similarity	NPD1511	Approved
0.6818	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD4878	Approved
0.679	Remote Similarity	NPD3764	Approved
0.6784	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD4380	Phase 2
0.6776	Remote Similarity	NPD5844	Phase 1
0.6766	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD2370	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD1512	Approved
0.6742	Remote Similarity	NPD7075	Discontinued
0.6707	Remote Similarity	NPD1551	Phase 2
0.6702	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD5711	Approved
0.6685	Remote Similarity	NPD5710	Approved
0.6685	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD7768	Phase 2
0.6684	Remote Similarity	NPD4931	Phase 2
0.6667	Remote Similarity	NPD230	Phase 1
0.6667	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD3748	Approved
0.661	Remote Similarity	NPD1934	Approved
0.66	Remote Similarity	NPD9266	Approved
0.66	Remote Similarity	NPD74	Approved
0.6591	Remote Similarity	NPD6599	Discontinued
0.659	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6588	Remote Similarity	NPD1243	Approved
0.6588	Remote Similarity	NPD2800	Approved
0.6585	Remote Similarity	NPD2313	Discontinued
0.6579	Remote Similarity	NPD8150	Discontinued
0.6573	Remote Similarity	NPD2801	Approved
0.655	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD2799	Discontinued
0.6548	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD9264	Approved
0.6533	Remote Similarity	NPD9263	Approved
0.6533	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD9267	Approved
0.6517	Remote Similarity	NPD6801	Discontinued
0.6514	Remote Similarity	NPD920	Approved
0.6512	Remote Similarity	NPD2354	Approved
0.6489	Remote Similarity	NPD6559	Discontinued
0.6478	Remote Similarity	NPD4879	Approved
0.6474	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD3300	Phase 2
0.6464	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD4360	Phase 2
0.6462	Remote Similarity	NPD4363	Phase 3
0.6453	Remote Similarity	NPD8151	Discontinued
0.6453	Remote Similarity	NPD7003	Approved
0.6453	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD3818	Discontinued
0.6444	Remote Similarity	NPD3817	Phase 2
0.6441	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6437	Remote Similarity	NPD6799	Approved
0.6436	Remote Similarity	NPD5953	Discontinued
0.6425	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6421	Remote Similarity	NPD8312	Approved
0.6421	Remote Similarity	NPD8313	Approved
0.6417	Remote Similarity	NPD6020	Phase 2
0.6412	Remote Similarity	NPD2796	Approved
0.6409	Remote Similarity	NPD3882	Suspended
0.6393	Remote Similarity	NPD5494	Approved
0.638	Remote Similarity	NPD1203	Approved
0.6378	Remote Similarity	NPD6535	Approved
0.6378	Remote Similarity	NPD6534	Approved
0.6374	Remote Similarity	NPD2344	Approved
0.6374	Remote Similarity	NPD1471	Phase 3
0.6374	Remote Similarity	NPD2353	Approved
0.6374	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD9493	Approved
0.6368	Remote Similarity	NPD7435	Discontinued
0.6355	Remote Similarity	NPD6973	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD5402	Approved
0.6354	Remote Similarity	NPD2379	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6349	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6348	Remote Similarity	NPD7458	Discontinued
0.6346	Remote Similarity	NPD5951	Approved
0.6346	Remote Similarity	NPD9281	Approved
0.6345	Remote Similarity	NPD4361	Phase 2
0.6345	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6344	Remote Similarity	NPD6166	Phase 2
0.6344	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6344	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD8320	Phase 1
0.6337	Remote Similarity	NPD8319	Approved
0.6333	Remote Similarity	NPD37	Approved
0.633	Remote Similarity	NPD7286	Phase 2
0.6319	Remote Similarity	NPD1283	Approved
0.6316	Remote Similarity	NPD6100	Approved
0.6316	Remote Similarity	NPD6099	Approved
0.6312	Remote Similarity	NPD3019	Approved
0.63	Remote Similarity	NPD6780	Approved
0.63	Remote Similarity	NPD6781	Approved
0.63	Remote Similarity	NPD6782	Approved
0.63	Remote Similarity	NPD6776	Approved
0.63	Remote Similarity	NPD6778	Approved
0.63	Remote Similarity	NPD6779	Approved
0.63	Remote Similarity	NPD6777	Approved
0.6287	Remote Similarity	NPD411	Approved
0.6283	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6281	Remote Similarity	NPD7700	Phase 2
0.6281	Remote Similarity	NPD7699	Phase 2
0.6272	Remote Similarity	NPD1184	Approved
0.6271	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.627	Remote Similarity	NPD1247	Approved
0.6267	Remote Similarity	NPD9261	Approved
0.6256	Remote Similarity	NPD4287	Approved
0.625	Remote Similarity	NPD6234	Discontinued
0.625	Remote Similarity	NPD919	Approved
0.6243	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6237	Remote Similarity	NPD7229	Phase 3
0.6236	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6235	Remote Similarity	NPD6651	Approved
0.623	Remote Similarity	NPD4965	Approved
0.623	Remote Similarity	NPD4966	Approved
0.623	Remote Similarity	NPD4967	Phase 2
0.6229	Remote Similarity	NPD3887	Approved
0.6229	Remote Similarity	NPD2309	Approved
0.6229	Remote Similarity	NPD6190	Approved
0.6219	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6215	Remote Similarity	NPD1578	Phase 2
0.6213	Remote Similarity	NPD1555	Discontinued
0.6211	Remote Similarity	NPD2932	Approved
0.6211	Remote Similarity	NPD7074	Phase 3
0.6207	Remote Similarity	NPD7697	Approved
0.6207	Remote Similarity	NPD7696	Phase 3
0.6207	Remote Similarity	NPD7698	Approved
0.6205	Remote Similarity	NPD454	Approved
0.619	Remote Similarity	NPD3268	Approved
0.619	Remote Similarity	NPD3751	Discontinued
0.6188	Remote Similarity	NPD9545	Approved
0.6184	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6184	Remote Similarity	NPD7874	Approved
0.6176	Remote Similarity	NPD7870	Phase 2
0.6176	Remote Similarity	NPD7871	Phase 2
0.6176	Remote Similarity	NPD447	Suspended
0.6175	Remote Similarity	NPD4288	Approved
0.6171	Remote Similarity	NPD4628	Phase 3
0.6163	Remote Similarity	NPD4308	Phase 3
0.6162	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6162	Remote Similarity	NPD6213	Phase 3
0.6162	Remote Similarity	NPD6212	Phase 3
0.6158	Remote Similarity	NPD7054	Approved
0.615	Remote Similarity	NPD4915	Approved
0.6145	Remote Similarity	NPD5403	Approved
0.6145	Remote Similarity	NPD2798	Approved
0.6139	Remote Similarity	NPD4914	Approved
0.6139	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6135	Remote Similarity	NPD1281	Approved
0.6129	Remote Similarity	NPD4750	Phase 3
0.6126	Remote Similarity	NPD7472	Approved
0.6124	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6124	Remote Similarity	NPD5401	Approved
0.6121	Remote Similarity	NPD1888	Phase 1
0.6119	Remote Similarity	NPD4975	Approved
0.6119	Remote Similarity	NPD4974	Approved
0.6111	Remote Similarity	NPD4589	Approved

Structure

NPC197326 OpenBabel07101719132D 23 25 0 0 0 0 0 0 0 0999 V2000 -3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 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 -4.3301 -1.5000 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 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 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 -2.5981 -0.5000 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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 15 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 19 2 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	38350655
ChEMBL	CHEMBL1089732
ZINC

Physicochemical Properties

Molecular Weight:	333.99
ALogP:	-1.404
MLogP:	2.23
XLogP:	-0.326
# Rotatable Bonds:	6
Polar Surface Area:	132.13
# H-Bond Aceptor:	4
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	23

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