NPASS Natural Product

Natural Product: NPC313922

Natural Product ID:	NPC313922
Common Name:	Coniothyrione
IUPAC Name:	methyl 2-chloro-1,8-dihydroxy-9-oxo-3a,9a-dihydrocyclopenta[b]chromene-1-carboxylate
Synonyms:	Coniothyrione
Molecular Formula:	C14H11ClO6
Standard InCHIKey:	JYCCBDSKURVFFQ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C14H11ClO6/c1-20-13(18)14(19)9(15)5-8-11(14)12(17)10-6(16)3-2-4-7(10)21-8/h2-5,8,11,16,19H,1H3
Canonical SMILES:	COC(=O)C1(O)C(=CC2C1C(=O)c1c(O2)cccc1O)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
NPO24614.1	Streptomyces lucensis ma-7349	Subspecies	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
IC50	2
MIC	7
Others	1

Activity Type	# Activity
Organism	10

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	10	mm	17346074
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	32	ug/ml	17346074
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	16	ug/ml	17346074
NPT1122	Organism	Haemophilus influenzae	Haemophilus influenzae	MIC	=	16	ug/ml	17346074
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	32	ug/ml	17346074
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	32	ug/ml	17346074
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	64	ug/ml	17346074
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	32	ug/ml	17346074
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IC50	=	5	ug/ml	17346074
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IC50	=	3	ug/ml	17346074

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 NPC313922 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	268
0.1-0.2	1070
0.2-0.3	2465
0.3-0.4	5595
0.4-0.5	7660
0.5-0.6	3328
0.6-0.7	4951
0.7-0.8	5209
0.8-0.85	330
0.85-0.9	13
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8782	High Similarity	NPC275878
0.8726	High Similarity	NPC301233
0.8725	High Similarity	NPC287068
0.8693	High Similarity	NPC316535
0.8671	High Similarity	NPC237560
0.8654	High Similarity	NPC116822
0.8616	High Similarity	NPC154341
0.859	High Similarity	NPC277032
0.8562	High Similarity	NPC476310
0.8562	High Similarity	NPC476164
0.8535	High Similarity	NPC267117
0.8535	High Similarity	NPC475717
0.8526	High Similarity	NPC191634
0.8491	Intermediate Similarity	NPC203080
0.8481	Intermediate Similarity	NPC295650
0.8481	Intermediate Similarity	NPC207346
0.8481	Intermediate Similarity	NPC46564
0.8481	Intermediate Similarity	NPC471229
0.8476	Intermediate Similarity	NPC477834
0.8471	Intermediate Similarity	NPC477941
0.8447	Intermediate Similarity	NPC476930
0.8442	Intermediate Similarity	NPC130206
0.8438	Intermediate Similarity	NPC326910
0.8428	Intermediate Similarity	NPC210597
0.8428	Intermediate Similarity	NPC253904
0.8428	Intermediate Similarity	NPC321363
0.8408	Intermediate Similarity	NPC228012
0.8387	Intermediate Similarity	NPC105381
0.8387	Intermediate Similarity	NPC10302
0.8377	Intermediate Similarity	NPC150023
0.8375	Intermediate Similarity	NPC100134
0.8375	Intermediate Similarity	NPC209760
0.8344	Intermediate Similarity	NPC211466
0.8344	Intermediate Similarity	NPC176869
0.8344	Intermediate Similarity	NPC3779
0.8344	Intermediate Similarity	NPC122828
0.8344	Intermediate Similarity	NPC476182
0.8344	Intermediate Similarity	NPC473133
0.8344	Intermediate Similarity	NPC44721
0.8344	Intermediate Similarity	NPC472918
0.8344	Intermediate Similarity	NPC40086
0.8344	Intermediate Similarity	NPC470670
0.8344	Intermediate Similarity	NPC47388
0.8333	Intermediate Similarity	NPC4152
0.8333	Intermediate Similarity	NPC142731
0.8333	Intermediate Similarity	NPC473395
0.8333	Intermediate Similarity	NPC279417
0.8333	Intermediate Similarity	NPC306607
0.8333	Intermediate Similarity	NPC208176
0.8333	Intermediate Similarity	NPC49130
0.8333	Intermediate Similarity	NPC326506
0.8333	Intermediate Similarity	NPC62290
0.8323	Intermediate Similarity	NPC476169
0.8323	Intermediate Similarity	NPC471116
0.8313	Intermediate Similarity	NPC256141
0.8313	Intermediate Similarity	NPC226801
0.8313	Intermediate Similarity	NPC216035
0.8313	Intermediate Similarity	NPC217149
0.8302	Intermediate Similarity	NPC180351
0.8293	Intermediate Similarity	NPC92589
0.8291	Intermediate Similarity	NPC218569
0.8282	Intermediate Similarity	NPC125969
0.828	Intermediate Similarity	NPC229190
0.828	Intermediate Similarity	NPC148011
0.828	Intermediate Similarity	NPC1940
0.8272	Intermediate Similarity	NPC469936
0.8272	Intermediate Similarity	NPC109967
0.8272	Intermediate Similarity	NPC20530
0.8272	Intermediate Similarity	NPC474609
0.8272	Intermediate Similarity	NPC475797
0.8272	Intermediate Similarity	NPC78554
0.8272	Intermediate Similarity	NPC215917
0.8272	Intermediate Similarity	NPC474738
0.8272	Intermediate Similarity	NPC129053
0.8272	Intermediate Similarity	NPC321372
0.8272	Intermediate Similarity	NPC272550
0.8272	Intermediate Similarity	NPC10754
0.8269	Intermediate Similarity	NPC113770
0.8261	Intermediate Similarity	NPC198236
0.825	Intermediate Similarity	NPC262038
0.825	Intermediate Similarity	NPC319910
0.825	Intermediate Similarity	NPC254412
0.825	Intermediate Similarity	NPC472636
0.825	Intermediate Similarity	NPC70016
0.825	Intermediate Similarity	NPC475076
0.825	Intermediate Similarity	NPC215921
0.825	Intermediate Similarity	NPC39819
0.825	Intermediate Similarity	NPC262039
0.825	Intermediate Similarity	NPC278476
0.8239	Intermediate Similarity	NPC4423
0.8239	Intermediate Similarity	NPC77325
0.8232	Intermediate Similarity	NPC471744
0.8228	Intermediate Similarity	NPC21835
0.8228	Intermediate Similarity	NPC91902
0.8228	Intermediate Similarity	NPC202494
0.8228	Intermediate Similarity	NPC85773
0.8217	Intermediate Similarity	NPC184649
0.8217	Intermediate Similarity	NPC311144
0.8217	Intermediate Similarity	NPC303185
0.8217	Intermediate Similarity	NPC297788
0.821	Intermediate Similarity	NPC217706
0.821	Intermediate Similarity	NPC473241
0.821	Intermediate Similarity	NPC207809
0.821	Intermediate Similarity	NPC279218
0.821	Intermediate Similarity	NPC175192
0.821	Intermediate Similarity	NPC304207
0.821	Intermediate Similarity	NPC259710
0.821	Intermediate Similarity	NPC48579
0.821	Intermediate Similarity	NPC108937
0.8199	Intermediate Similarity	NPC171651
0.8199	Intermediate Similarity	NPC138288
0.8199	Intermediate Similarity	NPC243171
0.8199	Intermediate Similarity	NPC473996
0.8199	Intermediate Similarity	NPC281272
0.8199	Intermediate Similarity	NPC35567
0.8187	Intermediate Similarity	NPC327059
0.8187	Intermediate Similarity	NPC472421
0.8187	Intermediate Similarity	NPC321387
0.8187	Intermediate Similarity	NPC470908
0.8187	Intermediate Similarity	NPC470107
0.8187	Intermediate Similarity	NPC105136
0.8182	Intermediate Similarity	NPC173137
0.8182	Intermediate Similarity	NPC268691
0.8182	Intermediate Similarity	NPC112418
0.8171	Intermediate Similarity	NPC55738
0.8166	Intermediate Similarity	NPC120220
0.8165	Intermediate Similarity	NPC260946
0.8165	Intermediate Similarity	NPC299011
0.816	Intermediate Similarity	NPC164427
0.816	Intermediate Similarity	NPC146636
0.8155	Intermediate Similarity	NPC476459
0.8153	Intermediate Similarity	NPC18886
0.8148	Intermediate Similarity	NPC248793
0.8148	Intermediate Similarity	NPC180301
0.8148	Intermediate Similarity	NPC236756
0.8148	Intermediate Similarity	NPC293286
0.8148	Intermediate Similarity	NPC311579
0.8144	Intermediate Similarity	NPC88243
0.8137	Intermediate Similarity	NPC471676
0.8137	Intermediate Similarity	NPC474772
0.8137	Intermediate Similarity	NPC471677
0.8137	Intermediate Similarity	NPC472420
0.8137	Intermediate Similarity	NPC263384
0.8137	Intermediate Similarity	NPC474744
0.8137	Intermediate Similarity	NPC244577
0.8137	Intermediate Similarity	NPC472422
0.8137	Intermediate Similarity	NPC190217
0.8137	Intermediate Similarity	NPC471675
0.8137	Intermediate Similarity	NPC472580
0.8137	Intermediate Similarity	NPC472423
0.8137	Intermediate Similarity	NPC470380
0.8137	Intermediate Similarity	NPC200773
0.8137	Intermediate Similarity	NPC240768
0.8133	Intermediate Similarity	NPC471745
0.8129	Intermediate Similarity	NPC232412
0.8129	Intermediate Similarity	NPC98667
0.8129	Intermediate Similarity	NPC86809
0.8129	Intermediate Similarity	NPC316480
0.8125	Intermediate Similarity	NPC237440
0.8125	Intermediate Similarity	NPC70764
0.8125	Intermediate Similarity	NPC270160
0.8125	Intermediate Similarity	NPC307052
0.8125	Intermediate Similarity	NPC139966
0.8121	Intermediate Similarity	NPC470183
0.8118	Intermediate Similarity	NPC472584
0.8113	Intermediate Similarity	NPC308200
0.8113	Intermediate Similarity	NPC210320
0.811	Intermediate Similarity	NPC161650
0.811	Intermediate Similarity	NPC477833
0.811	Intermediate Similarity	NPC108456
0.811	Intermediate Similarity	NPC6985
0.8101	Intermediate Similarity	NPC212697
0.8101	Intermediate Similarity	NPC294365
0.8101	Intermediate Similarity	NPC470857
0.8098	Intermediate Similarity	NPC469934
0.8098	Intermediate Similarity	NPC99381
0.8098	Intermediate Similarity	NPC111341
0.8098	Intermediate Similarity	NPC199926
0.8098	Intermediate Similarity	NPC304745
0.8089	Intermediate Similarity	NPC202981
0.8089	Intermediate Similarity	NPC162476
0.8086	Intermediate Similarity	NPC36835
0.8086	Intermediate Similarity	NPC31627
0.8086	Intermediate Similarity	NPC475790
0.8086	Intermediate Similarity	NPC61506
0.8086	Intermediate Similarity	NPC260491
0.8086	Intermediate Similarity	NPC271681
0.8086	Intermediate Similarity	NPC327269
0.8086	Intermediate Similarity	NPC167903
0.8086	Intermediate Similarity	NPC9743
0.8086	Intermediate Similarity	NPC246162
0.8086	Intermediate Similarity	NPC76041
0.8086	Intermediate Similarity	NPC184284
0.8086	Intermediate Similarity	NPC240476
0.8086	Intermediate Similarity	NPC477957
0.8086	Intermediate Similarity	NPC476238
0.8084	Intermediate Similarity	NPC91288
0.8084	Intermediate Similarity	NPC472581
0.8081	Intermediate Similarity	NPC469345
0.8077	Intermediate Similarity	NPC145673

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC313922 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	255
0.1-0.2	849
0.2-0.3	1682
0.3-0.4	2564
0.4-0.5	2114
0.5-0.6	1164
0.6-0.7	388
0.7-0.8	139
0.8-0.85	6
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8221	Intermediate Similarity	NPD7075	Discontinued
0.8148	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8038	Intermediate Similarity	NPD6799	Approved
0.8	Intermediate Similarity	NPD5403	Approved
0.8	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD5402	Approved
0.7987	Intermediate Similarity	NPD5401	Approved
0.7975	Intermediate Similarity	NPD1934	Approved
0.7963	Intermediate Similarity	NPD6599	Discontinued
0.7962	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7949	Intermediate Similarity	NPD1549	Phase 2
0.7935	Intermediate Similarity	NPD1551	Phase 2
0.7875	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7866	Intermediate Similarity	NPD6801	Discontinued
0.7834	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7831	Intermediate Similarity	NPD3882	Suspended
0.7818	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD3817	Phase 2
0.7744	Intermediate Similarity	NPD4380	Phase 2
0.7719	Intermediate Similarity	NPD2403	Approved
0.7719	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD6166	Phase 2
0.7719	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7716	Intermediate Similarity	NPD1512	Approved
0.7688	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD3749	Approved
0.7665	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD1510	Phase 2
0.7625	Intermediate Similarity	NPD3750	Approved
0.7619	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7614	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD1240	Approved
0.7605	Intermediate Similarity	NPD7819	Suspended
0.7605	Intermediate Similarity	NPD2801	Approved
0.7593	Intermediate Similarity	NPD1511	Approved
0.759	Intermediate Similarity	NPD7411	Suspended
0.7564	Intermediate Similarity	NPD447	Suspended
0.7562	Intermediate Similarity	NPD2800	Approved
0.7561	Intermediate Similarity	NPD920	Approved
0.7557	Intermediate Similarity	NPD6559	Discontinued
0.7546	Intermediate Similarity	NPD2534	Approved
0.7546	Intermediate Similarity	NPD2532	Approved
0.7546	Intermediate Similarity	NPD2533	Approved
0.7533	Intermediate Similarity	NPD9717	Approved
0.7529	Intermediate Similarity	NPD3818	Discontinued
0.7516	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1607	Approved
0.7515	Intermediate Similarity	NPD7768	Phase 2
0.75	Intermediate Similarity	NPD1203	Approved
0.75	Intermediate Similarity	NPD6797	Phase 2
0.7485	Intermediate Similarity	NPD5494	Approved
0.7484	Intermediate Similarity	NPD2796	Approved
0.7471	Intermediate Similarity	NPD7473	Discontinued
0.7458	Intermediate Similarity	NPD7251	Discontinued
0.7452	Intermediate Similarity	NPD6355	Discontinued
0.7443	Intermediate Similarity	NPD7074	Phase 3
0.7439	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD919	Approved
0.7421	Intermediate Similarity	NPD2799	Discontinued
0.7416	Intermediate Similarity	NPD7808	Phase 3
0.7414	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD4628	Phase 3
0.7401	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD6232	Discontinued
0.7386	Intermediate Similarity	NPD7054	Approved
0.7377	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD2313	Discontinued
0.7365	Intermediate Similarity	NPD3226	Approved
0.7362	Intermediate Similarity	NPD2354	Approved
0.7348	Intermediate Similarity	NPD8434	Phase 2
0.7346	Intermediate Similarity	NPD1243	Approved
0.7345	Intermediate Similarity	NPD7472	Approved
0.7333	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD3751	Discontinued
0.7329	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD2346	Discontinued
0.7317	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD3748	Approved
0.7294	Intermediate Similarity	NPD1465	Phase 2
0.7284	Intermediate Similarity	NPD5958	Discontinued
0.7278	Intermediate Similarity	NPD8312	Approved
0.7278	Intermediate Similarity	NPD8313	Approved
0.7267	Intermediate Similarity	NPD2935	Discontinued
0.7261	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD3887	Approved
0.7244	Intermediate Similarity	NPD6832	Phase 2
0.7241	Intermediate Similarity	NPD1247	Approved
0.7241	Intermediate Similarity	NPD6959	Discontinued
0.7237	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD422	Phase 1
0.7233	Intermediate Similarity	NPD230	Phase 1
0.7226	Intermediate Similarity	NPD5647	Approved
0.7226	Intermediate Similarity	NPD1019	Discontinued
0.7222	Intermediate Similarity	NPD2344	Approved
0.7207	Intermediate Similarity	NPD5953	Discontinued
0.7205	Intermediate Similarity	NPD7033	Discontinued
0.7204	Intermediate Similarity	NPD4363	Phase 3
0.7204	Intermediate Similarity	NPD4360	Phase 2
0.7191	Intermediate Similarity	NPD5844	Phase 1
0.7181	Intermediate Similarity	NPD9493	Approved
0.7178	Intermediate Similarity	NPD2424	Discontinued
0.7178	Intermediate Similarity	NPD4534	Discontinued
0.7161	Intermediate Similarity	NPD2797	Approved
0.7161	Intermediate Similarity	NPD987	Approved
0.716	Intermediate Similarity	NPD6099	Approved
0.716	Intermediate Similarity	NPD6100	Approved
0.7159	Intermediate Similarity	NPD3926	Phase 2
0.7152	Intermediate Similarity	NPD3268	Approved
0.7152	Intermediate Similarity	NPD411	Approved
0.7152	Intermediate Similarity	NPD6798	Discontinued
0.7134	Intermediate Similarity	NPD1652	Phase 2
0.7134	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD1933	Approved
0.7125	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD5124	Phase 1
0.7124	Intermediate Similarity	NPD1610	Phase 2
0.7117	Intermediate Similarity	NPD2353	Approved
0.7117	Intermediate Similarity	NPD6004	Phase 3
0.7117	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD6005	Phase 3
0.7117	Intermediate Similarity	NPD6002	Phase 3
0.7117	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD5710	Approved
0.7102	Intermediate Similarity	NPD5711	Approved
0.7102	Intermediate Similarity	NPD3787	Discontinued
0.7099	Intermediate Similarity	NPD4308	Phase 3
0.7095	Intermediate Similarity	NPD7286	Phase 2
0.7078	Intermediate Similarity	NPD1608	Approved
0.7076	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD8150	Discontinued
0.7063	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1613	Approved
0.7055	Intermediate Similarity	NPD1501	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD2309	Approved
0.7029	Intermediate Similarity	NPD6234	Discontinued
0.7025	Intermediate Similarity	NPD4908	Phase 1
0.7022	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD2798	Approved
0.7	Intermediate Similarity	NPD6233	Phase 2
0.6995	Remote Similarity	NPD7435	Discontinued
0.6994	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD4361	Phase 2
0.6984	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD6651	Approved
0.6966	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD943	Approved
0.6957	Remote Similarity	NPD4060	Phase 1
0.6947	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD3266	Approved
0.6943	Remote Similarity	NPD3267	Approved
0.694	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD1296	Phase 2
0.6937	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD3764	Approved
0.6936	Remote Similarity	NPD37	Approved
0.6932	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD6779	Approved
0.6927	Remote Similarity	NPD6777	Approved
0.6927	Remote Similarity	NPD6776	Approved
0.6927	Remote Similarity	NPD6781	Approved
0.6927	Remote Similarity	NPD6778	Approved
0.6927	Remote Similarity	NPD6782	Approved
0.6927	Remote Similarity	NPD6780	Approved
0.6923	Remote Similarity	NPD4749	Approved
0.6919	Remote Similarity	NPD6784	Approved
0.6919	Remote Similarity	NPD6785	Approved
0.6918	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD4966	Approved
0.6914	Remote Similarity	NPD4965	Approved
0.6914	Remote Similarity	NPD4967	Phase 2
0.6909	Remote Similarity	NPD5762	Approved
0.6909	Remote Similarity	NPD5763	Approved
0.6903	Remote Similarity	NPD1091	Approved
0.6901	Remote Similarity	NPD1653	Approved
0.6901	Remote Similarity	NPD2370	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD17	Approved
0.6879	Remote Similarity	NPD958	Approved
0.6871	Remote Similarity	NPD6653	Approved
0.6863	Remote Similarity	NPD9545	Approved
0.6855	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD7199	Phase 2
0.6852	Remote Similarity	NPD4307	Phase 2
0.6851	Remote Similarity	NPD7228	Approved
0.6832	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD7097	Phase 1
0.6824	Remote Similarity	NPD1578	Phase 2
0.6821	Remote Similarity	NPD4972	Discontinued
0.6821	Remote Similarity	NPD690	Clinical (unspecified phase)
0.681	Remote Similarity	NPD1184	Approved
0.6809	Remote Similarity	NPD4287	Approved

Structure

CID313922 OpenBabel06191716122D 21 23 0 0 1 0 0 0 0 0999 V2000 -1.2784 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5878 0.8090 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 -0.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 -0.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -1.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44421663
ChEMBL	CHEMBL225202
ZINC

Physicochemical Properties

Molecular Weight:	310.02
ALogP:	-0.9708
MLogP:	2.23
XLogP:	0.071
# Rotatable Bonds:	6
Polar Surface Area:	93.06
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	21

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