NPASS Natural Product

Natural Product: NPC195832

Natural Product ID:	NPC195832
Common Name:	3',4',Dihydroxy4,5,6-Trimethoxyaurone
IUPAC Name:	(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,5,6-trimethoxy-1-benzofuran-3-one
Synonyms:	3',4',-Dihydroxy4,5,6-Trimethoxyaurone
Molecular Formula:	C18H16O7
Standard InCHIKey:	KDAHPBGYDUMHRL-QPEQYQDCSA-N
Standard InCHI:	InChI=1S/C18H16O7/c1-22-14-8-12-15(18(24-3)17(14)23-2)16(21)13(25-12)7-9-4-5-10(19)11(20)6-9/h4-8,19-20H,1-3H3/b13-7-
Canonical SMILES:	COc1c(OC)cc2c(c1OC)C(=O)/C(=C/c1ccc(c(c1)O)O)/O2
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
NPO24252	Uvaria hamiltonii	Species	Annonaceae	Eukaryota				PMID[14552774]
NPO24252	Uvaria hamiltonii	Species	Annonaceae	Eukaryota	leaf and stem			PMID[9584399]

Biological Activity

Activity Type	# Activity
IC50	3
Others	5

Activity Type	# Activity
Cell Line	4
Individual Protein	1
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	10		17325223
NPT2	Others	Unspecified		Activity	=	83	%	17325223
NPT111	Cell Line	K562	Homo sapiens	IC50	=	12000	nM	23398362
NPT111	Cell Line	K562	Homo sapiens	Activity	=	57		8350085
NPT781	Individual Protein	Tubulin alpha chain	Sus scrofa	IC50	>	50000	nM	17210775
NPT111	Cell Line	K562	Homo sapiens	Activity	=	25		17261620
NPT111	Cell Line	K562	Homo sapiens	Activity	=	18		17261620
NPT2	Others	Unspecified		IC50	>	20	ug/ml	DrugMatrix in vitro pharmacology data

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 NPC195832 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	321
0.1-0.2	1253
0.2-0.3	2934
0.3-0.4	6874
0.4-0.5	5847
0.5-0.6	2571
0.6-0.7	3601
0.7-0.8	4322
0.8-0.85	1668
0.85-0.9	1029
0.9-0.95	413
0.95-1	56

Similarity Score	Similarity Level	Natural Product ID
0.9677	High Similarity	NPC36320
0.9671	High Similarity	NPC110070
0.9671	High Similarity	NPC101830
0.9671	High Similarity	NPC203891
0.9667	High Similarity	NPC304954
0.9608	High Similarity	NPC18607
0.9608	High Similarity	NPC300943
0.9608	High Similarity	NPC143828
0.9608	High Similarity	NPC253634
0.9608	High Similarity	NPC204854
0.9608	High Similarity	NPC191459
0.9608	High Similarity	NPC22472
0.9608	High Similarity	NPC19687
0.9608	High Similarity	NPC7846
0.9608	High Similarity	NPC193842
0.9608	High Similarity	NPC105242
0.9608	High Similarity	NPC288669
0.9608	High Similarity	NPC115798
0.9608	High Similarity	NPC18772
0.9608	High Similarity	NPC176300
0.9608	High Similarity	NPC25495
0.9608	High Similarity	NPC261004
0.9608	High Similarity	NPC4481
0.9608	High Similarity	NPC9609
0.9608	High Similarity	NPC130894
0.9608	High Similarity	NPC152166
0.9605	High Similarity	NPC245546
0.9605	High Similarity	NPC49824
0.9605	High Similarity	NPC265511
0.9605	High Similarity	NPC43243
0.9605	High Similarity	NPC266960
0.9605	High Similarity	NPC292107
0.9551	High Similarity	NPC45449
0.9548	High Similarity	NPC272722
0.9542	High Similarity	NPC305663
0.9542	High Similarity	NPC93376
0.9542	High Similarity	NPC78302
0.9542	High Similarity	NPC472438
0.9542	High Similarity	NPC176665
0.9542	High Similarity	NPC75215
0.9542	High Similarity	NPC224137
0.9542	High Similarity	NPC189179
0.9542	High Similarity	NPC163524
0.9542	High Similarity	NPC235215
0.9542	High Similarity	NPC227192
0.9542	High Similarity	NPC7973
0.9542	High Similarity	NPC29841
0.9542	High Similarity	NPC287979
0.9539	High Similarity	NPC20830
0.9539	High Similarity	NPC44079
0.9539	High Similarity	NPC256612
0.9539	High Similarity	NPC189960
0.9539	High Similarity	NPC32557
0.9539	High Similarity	NPC201451
0.9539	High Similarity	NPC26227
0.9533	High Similarity	NPC260582
0.9487	High Similarity	NPC1755
0.9487	High Similarity	NPC39305
0.9487	High Similarity	NPC263092
0.9487	High Similarity	NPC1706
0.9487	High Similarity	NPC59295
0.9477	High Similarity	NPC474520
0.9477	High Similarity	NPC178854
0.9477	High Similarity	NPC100916
0.9477	High Similarity	NPC472916
0.9477	High Similarity	NPC55619
0.9477	High Similarity	NPC98661
0.9477	High Similarity	NPC268161
0.9477	High Similarity	NPC200388
0.9477	High Similarity	NPC247017
0.9474	High Similarity	NPC236223
0.9474	High Similarity	NPC231018
0.9474	High Similarity	NPC145379
0.9474	High Similarity	NPC255350
0.9474	High Similarity	NPC183878
0.9474	High Similarity	NPC176775
0.9474	High Similarity	NPC86485
0.9474	High Similarity	NPC78326
0.9474	High Similarity	NPC69394
0.9474	High Similarity	NPC179126
0.9474	High Similarity	NPC47781
0.9474	High Similarity	NPC22519
0.9474	High Similarity	NPC270620
0.9474	High Similarity	NPC274327
0.9474	High Similarity	NPC160951
0.9467	High Similarity	NPC92722
0.9467	High Similarity	NPC102003
0.943	High Similarity	NPC76482
0.9423	High Similarity	NPC312056
0.9423	High Similarity	NPC238995
0.9423	High Similarity	NPC84515
0.9419	High Similarity	NPC246478
0.9412	High Similarity	NPC183597
0.9412	High Similarity	NPC163780
0.9412	High Similarity	NPC196439
0.9412	High Similarity	NPC227325
0.9412	High Similarity	NPC167815
0.9412	High Similarity	NPC50715
0.9412	High Similarity	NPC201136
0.9412	High Similarity	NPC2928
0.9412	High Similarity	NPC146165
0.9412	High Similarity	NPC4455
0.9412	High Similarity	NPC92659
0.9412	High Similarity	NPC208197
0.9412	High Similarity	NPC213622
0.9412	High Similarity	NPC2476
0.9412	High Similarity	NPC214138
0.9412	High Similarity	NPC138360
0.9412	High Similarity	NPC280339
0.9412	High Similarity	NPC128863
0.9408	High Similarity	NPC71334
0.9408	High Similarity	NPC301123
0.9408	High Similarity	NPC188203
0.9408	High Similarity	NPC60972
0.9408	High Similarity	NPC131624
0.9408	High Similarity	NPC100887
0.9408	High Similarity	NPC241498
0.9408	High Similarity	NPC39732
0.9408	High Similarity	NPC120163
0.9408	High Similarity	NPC83508
0.9408	High Similarity	NPC198826
0.9408	High Similarity	NPC301323
0.9408	High Similarity	NPC275836
0.9408	High Similarity	NPC275722
0.9408	High Similarity	NPC212678
0.9408	High Similarity	NPC162313
0.9408	High Similarity	NPC25270
0.9408	High Similarity	NPC293183
0.9408	High Similarity	NPC279989
0.9408	High Similarity	NPC156222
0.9408	High Similarity	NPC55205
0.9408	High Similarity	NPC239128
0.9408	High Similarity	NPC256283
0.9408	High Similarity	NPC187498
0.9408	High Similarity	NPC222830
0.9408	High Similarity	NPC57030
0.9408	High Similarity	NPC82325
0.94	High Similarity	NPC131451
0.94	High Similarity	NPC19545
0.94	High Similarity	NPC15329
0.9359	High Similarity	NPC188486
0.9359	High Similarity	NPC308992
0.9355	High Similarity	NPC16935
0.9355	High Similarity	NPC196879
0.9355	High Similarity	NPC152904
0.9346	High Similarity	NPC206238
0.9346	High Similarity	NPC58382
0.9346	High Similarity	NPC246204
0.9346	High Similarity	NPC292214
0.9346	High Similarity	NPC75279
0.9346	High Similarity	NPC88645
0.9346	High Similarity	NPC167091
0.9346	High Similarity	NPC162351
0.9346	High Similarity	NPC271779
0.9346	High Similarity	NPC472915
0.9346	High Similarity	NPC189130
0.9346	High Similarity	NPC276409
0.9346	High Similarity	NPC250822
0.9342	High Similarity	NPC54394
0.9342	High Similarity	NPC252933
0.9342	High Similarity	NPC260895
0.9342	High Similarity	NPC200740
0.9342	High Similarity	NPC236769
0.9342	High Similarity	NPC308451
0.9342	High Similarity	NPC226973
0.9342	High Similarity	NPC208043
0.9342	High Similarity	NPC125062
0.9342	High Similarity	NPC225731
0.9333	High Similarity	NPC140840
0.9333	High Similarity	NPC86847
0.9333	High Similarity	NPC93034
0.9333	High Similarity	NPC119660
0.9333	High Similarity	NPC117463
0.9317	High Similarity	NPC216842
0.9317	High Similarity	NPC476640
0.9317	High Similarity	NPC82217
0.9299	High Similarity	NPC81679
0.9295	High Similarity	NPC476980
0.9295	High Similarity	NPC263449
0.929	High Similarity	NPC475267
0.929	High Similarity	NPC471479
0.929	High Similarity	NPC210084
0.929	High Similarity	NPC222814
0.929	High Similarity	NPC472911
0.929	High Similarity	NPC67876
0.929	High Similarity	NPC36852
0.929	High Similarity	NPC472913
0.929	High Similarity	NPC472914
0.929	High Similarity	NPC474208
0.929	High Similarity	NPC470402
0.929	High Similarity	NPC474836
0.929	High Similarity	NPC48208
0.929	High Similarity	NPC96167
0.929	High Similarity	NPC262286
0.929	High Similarity	NPC245758
0.929	High Similarity	NPC78225
0.929	High Similarity	NPC162869
0.929	High Similarity	NPC156057
0.929	High Similarity	NPC99597
0.929	High Similarity	NPC471515

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC195832 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	329
0.1-0.2	872
0.2-0.3	1708
0.3-0.4	2673
0.4-0.5	1842
0.5-0.6	1071
0.6-0.7	495
0.7-0.8	122
0.8-0.85	31
0.85-0.9	14
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9735	High Similarity	NPD3882	Suspended
0.9474	High Similarity	NPD2801	Approved
0.9032	High Similarity	NPD1934	Approved
0.9013	High Similarity	NPD1512	Approved
0.8917	High Similarity	NPD3817	Phase 2
0.8882	High Similarity	NPD1511	Approved
0.8854	High Similarity	NPD2393	Clinical (unspecified phase)
0.8834	High Similarity	NPD3818	Discontinued
0.8827	High Similarity	NPD6166	Phase 2
0.8827	High Similarity	NPD6168	Clinical (unspecified phase)
0.8827	High Similarity	NPD6167	Clinical (unspecified phase)
0.8795	High Similarity	NPD4338	Clinical (unspecified phase)
0.8696	High Similarity	NPD5494	Approved
0.8642	High Similarity	NPD1247	Approved
0.8636	High Similarity	NPD6799	Approved
0.8581	High Similarity	NPD4378	Clinical (unspecified phase)
0.8563	High Similarity	NPD6797	Phase 2
0.8512	High Similarity	NPD7251	Discontinued
0.8462	Intermediate Similarity	NPD7808	Phase 3
0.8457	Intermediate Similarity	NPD7075	Discontinued
0.8447	Intermediate Similarity	NPD5402	Approved
0.8443	Intermediate Similarity	NPD7054	Approved
0.8424	Intermediate Similarity	NPD3926	Phase 2
0.8395	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8393	Intermediate Similarity	NPD7074	Phase 3
0.8393	Intermediate Similarity	NPD7472	Approved
0.8385	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8313	Intermediate Similarity	NPD6599	Discontinued
0.8293	Intermediate Similarity	NPD919	Approved
0.8212	Intermediate Similarity	NPD943	Approved
0.8212	Intermediate Similarity	NPD1240	Approved
0.821	Intermediate Similarity	NPD6801	Discontinued
0.8199	Intermediate Similarity	NPD4380	Phase 2
0.8194	Intermediate Similarity	NPD1549	Phase 2
0.8144	Intermediate Similarity	NPD6232	Discontinued
0.8129	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8117	Intermediate Similarity	NPD1510	Phase 2
0.8107	Intermediate Similarity	NPD7473	Discontinued
0.8105	Intermediate Similarity	NPD1607	Approved
0.8065	Intermediate Similarity	NPD2796	Approved
0.8049	Intermediate Similarity	NPD1465	Phase 2
0.8012	Intermediate Similarity	NPD5403	Approved
0.8012	Intermediate Similarity	NPD5844	Phase 1
0.8012	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7949	Intermediate Similarity	NPD2935	Discontinued
0.7939	Intermediate Similarity	NPD7819	Suspended
0.7922	Intermediate Similarity	NPD447	Suspended
0.7922	Intermediate Similarity	NPD230	Phase 1
0.7911	Intermediate Similarity	NPD2800	Approved
0.7901	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7888	Intermediate Similarity	NPD5401	Approved
0.7874	Intermediate Similarity	NPD6559	Discontinued
0.7848	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7818	Intermediate Similarity	NPD7411	Suspended
0.7812	Intermediate Similarity	NPD6190	Approved
0.7798	Intermediate Similarity	NPD3749	Approved
0.7785	Intermediate Similarity	NPD2344	Approved
0.7784	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2534	Approved
0.7778	Intermediate Similarity	NPD2533	Approved
0.7778	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2532	Approved
0.7746	Intermediate Similarity	NPD3751	Discontinued
0.7722	Intermediate Similarity	NPD1551	Phase 2
0.7712	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7683	Intermediate Similarity	NPD920	Approved
0.7662	Intermediate Similarity	NPD3027	Phase 3
0.7661	Intermediate Similarity	NPD6959	Discontinued
0.7647	Intermediate Similarity	NPD9494	Approved
0.7647	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD3750	Approved
0.7628	Intermediate Similarity	NPD1613	Approved
0.7628	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD3787	Discontinued
0.7616	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD2309	Approved
0.7582	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD1243	Approved
0.7569	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7558	Intermediate Similarity	NPD7199	Phase 2
0.7544	Intermediate Similarity	NPD6234	Discontinued
0.7531	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD4628	Phase 3
0.753	Intermediate Similarity	NPD1653	Approved
0.7529	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD2403	Approved
0.7529	Intermediate Similarity	NPD7768	Phase 2
0.7469	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD1933	Approved
0.7459	Intermediate Similarity	NPD8434	Phase 2
0.7439	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD2799	Discontinued
0.7416	Intermediate Similarity	NPD5953	Discontinued
0.7403	Intermediate Similarity	NPD1203	Approved
0.7401	Intermediate Similarity	NPD7286	Phase 2
0.7394	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD3226	Approved
0.7353	Intermediate Similarity	NPD37	Approved
0.7346	Intermediate Similarity	NPD1471	Phase 3
0.7345	Intermediate Similarity	NPD2163	Approved
0.7342	Intermediate Similarity	NPD6233	Phase 2
0.7333	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD3748	Approved
0.7329	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD4965	Approved
0.7326	Intermediate Similarity	NPD4966	Approved
0.7326	Intermediate Similarity	NPD4967	Phase 2
0.732	Intermediate Similarity	NPD9269	Phase 2
0.7312	Intermediate Similarity	NPD6651	Approved
0.7289	Intermediate Similarity	NPD4357	Discontinued
0.7284	Intermediate Similarity	NPD6099	Approved
0.7284	Intermediate Similarity	NPD6100	Approved
0.7278	Intermediate Similarity	NPD7685	Pre-registration
0.7278	Intermediate Similarity	NPD2313	Discontinued
0.7273	Intermediate Similarity	NPD5242	Approved
0.7261	Intermediate Similarity	NPD6832	Phase 2
0.7256	Intermediate Similarity	NPD2654	Approved
0.725	Intermediate Similarity	NPD6355	Discontinued
0.725	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7247	Intermediate Similarity	NPD7228	Approved
0.7239	Intermediate Similarity	NPD2346	Discontinued
0.7234	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD5711	Approved
0.7216	Intermediate Similarity	NPD5710	Approved
0.7211	Intermediate Similarity	NPD6780	Approved
0.7211	Intermediate Similarity	NPD6776	Approved
0.7211	Intermediate Similarity	NPD6778	Approved
0.7211	Intermediate Similarity	NPD6779	Approved
0.7211	Intermediate Similarity	NPD6777	Approved
0.7211	Intermediate Similarity	NPD6782	Approved
0.7211	Intermediate Similarity	NPD6781	Approved
0.7208	Intermediate Similarity	NPD9717	Approved
0.7193	Intermediate Similarity	NPD6386	Approved
0.7193	Intermediate Similarity	NPD6385	Approved
0.7188	Intermediate Similarity	NPD7435	Discontinued
0.717	Intermediate Similarity	NPD6798	Discontinued
0.7169	Intermediate Similarity	NPD2354	Approved
0.7168	Intermediate Similarity	NPD5353	Approved
0.7152	Intermediate Similarity	NPD5536	Phase 2
0.7151	Intermediate Similarity	NPD6844	Discontinued
0.7108	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD3018	Phase 2
0.7083	Intermediate Similarity	NPD7390	Discontinued
0.7081	Intermediate Similarity	NPD4060	Phase 1
0.7081	Intermediate Similarity	NPD8150	Discontinued
0.7069	Intermediate Similarity	NPD2296	Approved
0.7063	Intermediate Similarity	NPD411	Approved
0.7059	Intermediate Similarity	NPD9268	Approved
0.7044	Intermediate Similarity	NPD4908	Phase 1
0.7044	Intermediate Similarity	NPD7907	Approved
0.7039	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD422	Phase 1
0.7025	Intermediate Similarity	NPD2798	Approved
0.7022	Intermediate Similarity	NPD7229	Phase 3
0.7012	Intermediate Similarity	NPD7033	Discontinued
0.7011	Intermediate Similarity	NPD8313	Approved
0.7011	Intermediate Similarity	NPD8312	Approved
0.701	Intermediate Similarity	NPD7698	Approved
0.701	Intermediate Similarity	NPD7696	Phase 3
0.701	Intermediate Similarity	NPD7697	Approved
0.7	Intermediate Similarity	NPD5049	Phase 3
0.6995	Remote Similarity	NPD2494	Approved
0.6995	Remote Similarity	NPD2493	Approved
0.6993	Remote Similarity	NPD1548	Phase 1
0.6987	Remote Similarity	NPD1608	Approved
0.6981	Remote Similarity	NPD2861	Phase 2
0.6978	Remote Similarity	NPD1729	Discontinued
0.6974	Remote Similarity	NPD7871	Phase 2
0.6974	Remote Similarity	NPD7870	Phase 2
0.697	Remote Similarity	NPD7874	Approved
0.697	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD3887	Approved
0.6957	Remote Similarity	NPD3764	Approved
0.6957	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3268	Approved
0.6954	Remote Similarity	NPD7701	Phase 2
0.6947	Remote Similarity	NPD6534	Approved
0.6947	Remote Similarity	NPD6535	Approved
0.6946	Remote Similarity	NPD2899	Discontinued
0.6946	Remote Similarity	NPD4111	Phase 1
0.6946	Remote Similarity	NPD4665	Approved
0.6944	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD2982	Phase 2
0.6943	Remote Similarity	NPD2983	Phase 2
0.6941	Remote Similarity	NPD3146	Approved
0.6941	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD2343	Clinical (unspecified phase)

Structure

NPC195832 OpenBabel07101718312D 25 27 0 0 0 0 0 0 0 0999 V2000 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0468 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4487 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0468 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6691 -0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 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 -6.9128 1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 2.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 -1.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	642382
ChEMBL	CHEMBL124392
ZINC

Physicochemical Properties

Molecular Weight:	344.09
ALogP:	-1.4729
MLogP:	2.67
XLogP:	1.96
# Rotatable Bonds:	9
Polar Surface Area:	94.45
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	25

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