NPASS Natural Product

Natural Product: NPC472152

Natural Product ID:	NPC472152
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H13ClO6
Standard InCHIKey:	KDRDVNRYLTWNLC-XMCHAPAWSA-N
Standard InCHI:	InChI=1S/C20H13ClO6/c21-11-9-18(20-15(23)8-7-14(22)19(20,27-20)17(11)24)25-12-5-1-3-10-4-2-6-13(26-18)16(10)12/h1-6,9,14,22H,7-8H2/t14-,19-,20+/m1/s1
Canonical SMILES:	ClC1=CC2(Oc3cccc4c3c(O2)ccc4)[C@@]23[C@@](C1=O)(O2)[C@H](O)CCC3=O
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
NPO33512	berkleasmium sp.	Species	NA	Eukaryota				PMID[25237727]

Biological Activity

Activity Type	# Activity
IC50	6
MIC	6

Activity Type	# Activity
Cell Line	2
Organism	7
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	1300	nM	16413779
NPT81	Cell Line	A549	Homo sapiens	IC50	=	1600	nM	16413779
NPT331	Organism	Ralstonia solanacearum	Ralstonia solanacearum	MIC	=	25	ug/ml	22940450
NPT2	Others	Unspecified		IC50	=	4200	nM	18053715
NPT826	Organism	Magnaporthe oryzae	Magnaporthe oryzae	IC50	=	9.1	ug/ml	18053715
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	50	ug/ml	24345446
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	MIC	=	25	ug/ml	25970561
NPT2	Others	Unspecified		IC50	=	2600	nM	15711537
NPT2	Others	Unspecified		IC50	=	2500	nM	18578517
NPT2921	Organism	Pseudomonas	Pseudomonas	MIC	=	25	ug/ml	25237727
NPT1477	Organism	Staphylococcus haemolyticus	Staphylococcus haemolyticus	MIC	=	25	ug/ml	6481359
NPT4150	Organism	Xanthomonas vesicatoria	Xanthomonas vesicatoria	MIC	=	25	ug/ml	22925447

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 NPC472152 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	348
0.1-0.2	1336
0.2-0.3	2629
0.3-0.4	6194
0.4-0.5	6719
0.5-0.6	3849
0.6-0.7	5596
0.7-0.8	4171
0.8-0.85	37
0.85-0.9	7
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9264	High Similarity	NPC472150
0.9264	High Similarity	NPC175082
0.9018	High Similarity	NPC472153
0.8909	High Similarity	NPC74371
0.8909	High Similarity	NPC120677
0.8896	High Similarity	NPC472156
0.8855	High Similarity	NPC75944
0.8588	High Similarity	NPC137460
0.8521	High Similarity	NPC297404
0.8521	High Similarity	NPC11608
0.8443	Intermediate Similarity	NPC193749
0.8421	Intermediate Similarity	NPC103633
0.8385	Intermediate Similarity	NPC97662
0.8343	Intermediate Similarity	NPC73148
0.8333	Intermediate Similarity	NPC183402
0.8313	Intermediate Similarity	NPC133585
0.8199	Intermediate Similarity	NPC197461
0.8182	Intermediate Similarity	NPC186800
0.8161	Intermediate Similarity	NPC222455
0.8148	Intermediate Similarity	NPC257404
0.8132	Intermediate Similarity	NPC314672
0.8125	Intermediate Similarity	NPC85368
0.8098	Intermediate Similarity	NPC472154
0.8092	Intermediate Similarity	NPC477834
0.8079	Intermediate Similarity	NPC470667
0.8079	Intermediate Similarity	NPC3718
0.8059	Intermediate Similarity	NPC477833
0.8049	Intermediate Similarity	NPC288531
0.8045	Intermediate Similarity	NPC114257
0.8045	Intermediate Similarity	NPC153578
0.8045	Intermediate Similarity	NPC299149
0.8045	Intermediate Similarity	NPC277710
0.8037	Intermediate Similarity	NPC472155
0.8034	Intermediate Similarity	NPC144097
0.8034	Intermediate Similarity	NPC272656
0.8034	Intermediate Similarity	NPC61904
0.8034	Intermediate Similarity	NPC475246
0.8023	Intermediate Similarity	NPC478134
0.8023	Intermediate Similarity	NPC316457
0.8023	Intermediate Similarity	NPC154986
0.8023	Intermediate Similarity	NPC470438
0.8012	Intermediate Similarity	NPC57072
0.8012	Intermediate Similarity	NPC231475
0.8	Intermediate Similarity	NPC11800
0.8	Intermediate Similarity	NPC208069
0.8	Intermediate Similarity	NPC315221
0.8	Intermediate Similarity	NPC206579
0.7989	Intermediate Similarity	NPC113836
0.7989	Intermediate Similarity	NPC472049
0.7989	Intermediate Similarity	NPC253521
0.7989	Intermediate Similarity	NPC280923
0.7989	Intermediate Similarity	NPC37668
0.7989	Intermediate Similarity	NPC35167
0.7988	Intermediate Similarity	NPC173630
0.7978	Intermediate Similarity	NPC81042
0.7978	Intermediate Similarity	NPC34267
0.7978	Intermediate Similarity	NPC146803
0.7978	Intermediate Similarity	NPC214621
0.7978	Intermediate Similarity	NPC223426
0.7977	Intermediate Similarity	NPC101116
0.7977	Intermediate Similarity	NPC212099
0.7966	Intermediate Similarity	NPC30432
0.7966	Intermediate Similarity	NPC271385
0.7966	Intermediate Similarity	NPC111536
0.7966	Intermediate Similarity	NPC76128
0.7966	Intermediate Similarity	NPC5029
0.7956	Intermediate Similarity	NPC313452
0.7955	Intermediate Similarity	NPC217378
0.7944	Intermediate Similarity	NPC244903
0.7943	Intermediate Similarity	NPC274618
0.7943	Intermediate Similarity	NPC308404
0.7943	Intermediate Similarity	NPC253662
0.7943	Intermediate Similarity	NPC281131
0.7943	Intermediate Similarity	NPC477517
0.7943	Intermediate Similarity	NPC145038
0.7943	Intermediate Similarity	NPC56077
0.7943	Intermediate Similarity	NPC88789
0.7943	Intermediate Similarity	NPC276222
0.7943	Intermediate Similarity	NPC118284
0.7943	Intermediate Similarity	NPC179950
0.7939	Intermediate Similarity	NPC469408
0.7939	Intermediate Similarity	NPC47152
0.7935	Intermediate Similarity	NPC201814
0.7933	Intermediate Similarity	NPC475233
0.7933	Intermediate Similarity	NPC46958
0.7927	Intermediate Similarity	NPC151704
0.7921	Intermediate Similarity	NPC470336
0.7921	Intermediate Similarity	NPC470335
0.7921	Intermediate Similarity	NPC203751
0.7919	Intermediate Similarity	NPC470125
0.7912	Intermediate Similarity	NPC231254
0.791	Intermediate Similarity	NPC255157
0.791	Intermediate Similarity	NPC67326
0.791	Intermediate Similarity	NPC156869
0.791	Intermediate Similarity	NPC472159
0.791	Intermediate Similarity	NPC472160
0.791	Intermediate Similarity	NPC259896
0.791	Intermediate Similarity	NPC155763
0.791	Intermediate Similarity	NPC29958
0.791	Intermediate Similarity	NPC280385
0.791	Intermediate Similarity	NPC235260
0.791	Intermediate Similarity	NPC20505
0.791	Intermediate Similarity	NPC95866
0.791	Intermediate Similarity	NPC136042
0.791	Intermediate Similarity	NPC254855
0.791	Intermediate Similarity	NPC72249
0.791	Intermediate Similarity	NPC206123
0.7903	Intermediate Similarity	NPC314020
0.7901	Intermediate Similarity	NPC477860
0.7901	Intermediate Similarity	NPC170203
0.7901	Intermediate Similarity	NPC6709
0.7901	Intermediate Similarity	NPC475161
0.7898	Intermediate Similarity	NPC127546
0.7898	Intermediate Similarity	NPC92565
0.7898	Intermediate Similarity	NPC150131
0.7898	Intermediate Similarity	NPC317489
0.7898	Intermediate Similarity	NPC84362
0.7898	Intermediate Similarity	NPC173637
0.7898	Intermediate Similarity	NPC160156
0.7898	Intermediate Similarity	NPC48640
0.7898	Intermediate Similarity	NPC223424
0.7898	Intermediate Similarity	NPC52550
0.7898	Intermediate Similarity	NPC149244
0.7889	Intermediate Similarity	NPC217387
0.7889	Intermediate Similarity	NPC267680
0.7889	Intermediate Similarity	NPC217520
0.7889	Intermediate Similarity	NPC477895
0.7889	Intermediate Similarity	NPC470334
0.7889	Intermediate Similarity	NPC258044
0.7889	Intermediate Similarity	NPC196127
0.7889	Intermediate Similarity	NPC293626
0.7889	Intermediate Similarity	NPC47191
0.7889	Intermediate Similarity	NPC139571
0.7886	Intermediate Similarity	NPC470735
0.7886	Intermediate Similarity	NPC55786
0.7886	Intermediate Similarity	NPC129264
0.7886	Intermediate Similarity	NPC19388
0.7886	Intermediate Similarity	NPC277205
0.7886	Intermediate Similarity	NPC205824
0.7886	Intermediate Similarity	NPC19240
0.7886	Intermediate Similarity	NPC85751
0.7886	Intermediate Similarity	NPC240431
0.7886	Intermediate Similarity	NPC329647
0.7882	Intermediate Similarity	NPC203080
0.788	Intermediate Similarity	NPC205721
0.7879	Intermediate Similarity	NPC271076
0.7877	Intermediate Similarity	NPC68381
0.7877	Intermediate Similarity	NPC253685
0.7874	Intermediate Similarity	NPC146837
0.7874	Intermediate Similarity	NPC216752
0.7874	Intermediate Similarity	NPC278329
0.7869	Intermediate Similarity	NPC87583
0.7865	Intermediate Similarity	NPC471748
0.7865	Intermediate Similarity	NPC471725
0.7865	Intermediate Similarity	NPC60735
0.7865	Intermediate Similarity	NPC190003
0.7865	Intermediate Similarity	NPC294501
0.7865	Intermediate Similarity	NPC175107
0.7865	Intermediate Similarity	NPC245452
0.7865	Intermediate Similarity	NPC33054
0.7865	Intermediate Similarity	NPC155877
0.7865	Intermediate Similarity	NPC134532
0.7865	Intermediate Similarity	NPC26230
0.7865	Intermediate Similarity	NPC176740
0.7865	Intermediate Similarity	NPC203259
0.7861	Intermediate Similarity	NPC471079
0.7861	Intermediate Similarity	NPC470405
0.7861	Intermediate Similarity	NPC304741
0.7857	Intermediate Similarity	NPC297503
0.7857	Intermediate Similarity	NPC135831
0.7857	Intermediate Similarity	NPC36138
0.7857	Intermediate Similarity	NPC97119
0.7853	Intermediate Similarity	NPC225434
0.7853	Intermediate Similarity	NPC67424
0.7853	Intermediate Similarity	NPC52382
0.7853	Intermediate Similarity	NPC219904
0.7853	Intermediate Similarity	NPC203050
0.7853	Intermediate Similarity	NPC223747
0.7853	Intermediate Similarity	NPC61791
0.7853	Intermediate Similarity	NPC120099
0.7853	Intermediate Similarity	NPC270578
0.7853	Intermediate Similarity	NPC138927
0.7849	Intermediate Similarity	NPC476026
0.7849	Intermediate Similarity	NPC54802
0.7849	Intermediate Similarity	NPC78263
0.7849	Intermediate Similarity	NPC474398
0.7849	Intermediate Similarity	NPC474401
0.7849	Intermediate Similarity	NPC474441
0.7849	Intermediate Similarity	NPC133671
0.7849	Intermediate Similarity	NPC135391
0.7849	Intermediate Similarity	NPC77672
0.7849	Intermediate Similarity	NPC197304
0.7845	Intermediate Similarity	NPC212290
0.7841	Intermediate Similarity	NPC197285
0.7841	Intermediate Similarity	NPC21100
0.7841	Intermediate Similarity	NPC328940
0.7841	Intermediate Similarity	NPC113968
0.7841	Intermediate Similarity	NPC135599
0.7841	Intermediate Similarity	NPC277174
0.7841	Intermediate Similarity	NPC73855

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472152 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	354
0.1-0.2	900
0.2-0.3	1777
0.3-0.4	2731
0.4-0.5	1993
0.5-0.6	953
0.6-0.7	355
0.7-0.8	96
0.8-0.85	0
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9325	High Similarity	NPD3751	Discontinued
0.8963	High Similarity	NPD3787	Discontinued
0.7865	Intermediate Similarity	NPD6797	Phase 2
0.7826	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD7251	Discontinued
0.7778	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD7808	Phase 3
0.7746	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD5402	Approved
0.7684	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7684	Intermediate Similarity	NPD6166	Phase 2
0.7684	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD7054	Approved
0.7619	Intermediate Similarity	NPD5401	Approved
0.7611	Intermediate Similarity	NPD7472	Approved
0.7611	Intermediate Similarity	NPD7074	Phase 3
0.7598	Intermediate Similarity	NPD3818	Discontinued
0.7572	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD5403	Approved
0.7529	Intermediate Similarity	NPD3817	Phase 2
0.7514	Intermediate Similarity	NPD1934	Approved
0.7486	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD3882	Suspended
0.7473	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7459	Intermediate Similarity	NPD5844	Phase 1
0.7456	Intermediate Similarity	NPD6799	Approved
0.7448	Intermediate Similarity	NPD6780	Approved
0.7448	Intermediate Similarity	NPD6778	Approved
0.7448	Intermediate Similarity	NPD6782	Approved
0.7448	Intermediate Similarity	NPD6781	Approved
0.7448	Intermediate Similarity	NPD6776	Approved
0.7448	Intermediate Similarity	NPD6777	Approved
0.7448	Intermediate Similarity	NPD6779	Approved
0.7446	Intermediate Similarity	NPD8313	Approved
0.7446	Intermediate Similarity	NPD8312	Approved
0.7443	Intermediate Similarity	NPD7075	Discontinued
0.743	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD7435	Discontinued
0.7399	Intermediate Similarity	NPD4380	Phase 2
0.7371	Intermediate Similarity	NPD7819	Suspended
0.7371	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD1512	Approved
0.7345	Intermediate Similarity	NPD3749	Approved
0.7318	Intermediate Similarity	NPD7199	Phase 2
0.7318	Intermediate Similarity	NPD6959	Discontinued
0.7314	Intermediate Similarity	NPD6801	Discontinued
0.7299	Intermediate Similarity	NPD6599	Discontinued
0.7273	Intermediate Similarity	NPD2801	Approved
0.7273	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1465	Phase 2
0.7263	Intermediate Similarity	NPD5494	Approved
0.7262	Intermediate Similarity	NPD1549	Phase 2
0.7251	Intermediate Similarity	NPD1511	Approved
0.7245	Intermediate Similarity	NPD7698	Approved
0.7245	Intermediate Similarity	NPD7696	Phase 3
0.7245	Intermediate Similarity	NPD7697	Approved
0.7243	Intermediate Similarity	NPD6559	Discontinued
0.7235	Intermediate Similarity	NPD6190	Approved
0.7234	Intermediate Similarity	NPD8150	Discontinued
0.7209	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD7871	Phase 2
0.7208	Intermediate Similarity	NPD7870	Phase 2
0.7202	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD7874	Approved
0.7188	Intermediate Similarity	NPD6534	Approved
0.7188	Intermediate Similarity	NPD6535	Approved
0.7186	Intermediate Similarity	NPD7701	Phase 2
0.7182	Intermediate Similarity	NPD6232	Discontinued
0.7176	Intermediate Similarity	NPD3750	Approved
0.7175	Intermediate Similarity	NPD8455	Phase 2
0.7158	Intermediate Similarity	NPD7473	Discontinued
0.7158	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8434	Phase 2
0.7143	Intermediate Similarity	NPD3226	Approved
0.712	Intermediate Similarity	NPD7228	Approved
0.7119	Intermediate Similarity	NPD37	Approved
0.711	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD4965	Approved
0.7095	Intermediate Similarity	NPD4966	Approved
0.7095	Intermediate Similarity	NPD4967	Phase 2
0.7083	Intermediate Similarity	NPD3748	Approved
0.7079	Intermediate Similarity	NPD7801	Approved
0.7077	Intermediate Similarity	NPD7699	Phase 2
0.7077	Intermediate Similarity	NPD7700	Phase 2
0.7076	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD8151	Discontinued
0.7062	Intermediate Similarity	NPD7411	Suspended
0.7045	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD2796	Approved
0.7039	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD8320	Phase 1
0.7035	Intermediate Similarity	NPD8319	Approved
0.7017	Intermediate Similarity	NPD6234	Discontinued
0.7011	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2346	Discontinued
0.6982	Remote Similarity	NPD1510	Phase 2
0.6968	Remote Similarity	NPD7240	Approved
0.6968	Remote Similarity	NPD7685	Pre-registration
0.6957	Remote Similarity	NPD3926	Phase 2
0.6946	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD1613	Approved
0.6941	Remote Similarity	NPD6099	Approved
0.6941	Remote Similarity	NPD6100	Approved
0.694	Remote Similarity	NPD1247	Approved
0.6936	Remote Similarity	NPD2354	Approved
0.6935	Remote Similarity	NPD6823	Phase 2
0.6928	Remote Similarity	NPD6798	Discontinued
0.6928	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD919	Approved
0.6919	Remote Similarity	NPD2403	Approved
0.6914	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD7783	Phase 2
0.6912	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD1933	Approved
0.6893	Remote Similarity	NPD1653	Approved
0.6886	Remote Similarity	NPD6233	Phase 2
0.6882	Remote Similarity	NPD7033	Discontinued
0.6879	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD4628	Phase 3
0.686	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD1551	Phase 2
0.6842	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD3887	Approved
0.6836	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD7768	Phase 2
0.6811	Remote Similarity	NPD7229	Phase 3
0.6805	Remote Similarity	NPD6355	Discontinued
0.68	Remote Similarity	NPD5058	Phase 3
0.679	Remote Similarity	NPD1091	Approved
0.6786	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6213	Phase 3
0.6786	Remote Similarity	NPD6212	Phase 3
0.6784	Remote Similarity	NPD8285	Discontinued
0.6763	Remote Similarity	NPD4534	Discontinued
0.6763	Remote Similarity	NPD5958	Discontinued
0.6761	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD1240	Approved
0.6736	Remote Similarity	NPD6784	Approved
0.6736	Remote Similarity	NPD6785	Approved
0.6726	Remote Similarity	NPD2313	Discontinued
0.6725	Remote Similarity	NPD7097	Phase 1
0.6724	Remote Similarity	NPD6674	Discontinued
0.6724	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6722	Remote Similarity	NPD4972	Discontinued
0.6707	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD447	Suspended
0.6705	Remote Similarity	NPD5762	Approved
0.6705	Remote Similarity	NPD2353	Approved
0.6705	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD5763	Approved
0.6687	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4363	Phase 3
0.6667	Remote Similarity	NPD7095	Approved
0.6667	Remote Similarity	NPD1607	Approved
0.6667	Remote Similarity	NPD3225	Approved
0.6667	Remote Similarity	NPD4625	Phase 3
0.6667	Remote Similarity	NPD7458	Discontinued
0.6667	Remote Similarity	NPD4360	Phase 2
0.6648	Remote Similarity	NPD6844	Discontinued
0.6648	Remote Similarity	NPD920	Approved
0.6647	Remote Similarity	NPD4060	Phase 1
0.6647	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD1608	Approved
0.6629	Remote Similarity	NPD2533	Approved
0.6629	Remote Similarity	NPD2532	Approved
0.6629	Remote Similarity	NPD2534	Approved
0.6629	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD3268	Approved
0.6609	Remote Similarity	NPD2344	Approved
0.6609	Remote Similarity	NPD7266	Discontinued
0.6609	Remote Similarity	NPD1471	Phase 3
0.6608	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD4908	Phase 1
0.66	Remote Similarity	NPD2973	Approved
0.66	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.66	Remote Similarity	NPD2975	Approved
0.66	Remote Similarity	NPD2974	Approved
0.659	Remote Similarity	NPD5960	Phase 3
0.659	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD2798	Approved
0.6584	Remote Similarity	NPD4580	Approved
0.6578	Remote Similarity	NPD8127	Discontinued
0.6571	Remote Similarity	NPD2897	Discontinued
0.6571	Remote Similarity	NPD2424	Discontinued
0.6569	Remote Similarity	NPD4002	Approved
0.6569	Remote Similarity	NPD4004	Approved
0.6568	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6553	Remote Similarity	NPD7584	Approved
0.6552	Remote Similarity	NPD2493	Approved
0.6552	Remote Similarity	NPD3450	Approved
0.6552	Remote Similarity	NPD2494	Approved

Structure

NPC472152 OpenBabel07101718202D 27 32 0 0 1 0 0 0 0 0999 V2000 -5.0342 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0342 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.9377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6781 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.9688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8390 -0.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8390 -3.3909 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -2.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -2.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -1.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 0.0000 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 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 10 1 0 0 0 0 4 10 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 19 1 6 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 17 19 1 0 0 0 0 17 24 2 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 1 0 0 0 19 27 1 0 0 0 0 20 15 1 1 0 0 0 20 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3342632
ZINC

Physicochemical Properties

Molecular Weight:	384.04
ALogP:	-1.4671
MLogP:	2.89
XLogP:	1.5
# Rotatable Bonds:	2
Polar Surface Area:	85.36
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	27

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