NPASS Natural Product

Natural Product: NPC99199

Natural Product ID:	NPC99199
Common Name:	5-(6-Hydroxy-1-Benzofuran-2-Yl)-2,2-Dimethylchromen-7-Ol
IUPAC Name:	5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol
Synonyms:
Molecular Formula:	C19H16O4
Standard InCHIKey:	GDSYWTBPYYYLLE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3
Canonical SMILES:	Oc1cc2OC(C)(C)C=Cc2c(c1)c1cc2c(o1)cc(cc2)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO9121	Mori follum	NA	NA	NA	TCMSP*
NPO28265	Morus alba	Species	Moraceae	Eukaryota	TCM_Taiwan*
NPO28265	Morus alba	Species	Moraceae	Eukaryota	TM-MC*
NPO28265	Morus alba	Species	Moraceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
MIC	10

Activity Type	# Activity
Organism	4
Others	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	100	ug/ml	25461329
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	100	ug/ml	25461329
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	100	ug/ml	25461329
NPT2	Others	Unspecified		MIC	=	15	ug/ml	25461329
NPT2	Others	Unspecified		MIC	=	50	ug/ml	25461329
NPT2	Others	Unspecified		MIC	=	200	ug/ml	25461329
NPT2955	Organism	Rosellinia necatrix	Rosellinia necatrix	MIC	=	15	ug/ml	25461329
NPT2	Others	Unspecified		MIC	=	100	ug/ml	25461329

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 NPC99199 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	303
0.1-0.2	1325
0.2-0.3	2291
0.3-0.4	6144
0.4-0.5	7014
0.5-0.6	2665
0.6-0.7	4012
0.7-0.8	4178
0.8-0.85	1965
0.85-0.9	897
0.9-0.95	81
0.95-1	14

Similarity Score	Similarity Level	Natural Product ID
0.9866	High Similarity	NPC268360
0.9796	High Similarity	NPC23668
0.9796	High Similarity	NPC193976
0.973	High Similarity	NPC142308
0.973	High Similarity	NPC207624
0.9664	High Similarity	NPC472462
0.9664	High Similarity	NPC72370
0.9664	High Similarity	NPC235333
0.9662	High Similarity	NPC115324
0.9662	High Similarity	NPC58668
0.9662	High Similarity	NPC106372
0.96	High Similarity	NPC148938
0.96	High Similarity	NPC297531
0.96	High Similarity	NPC213936
0.9474	High Similarity	NPC164110
0.9474	High Similarity	NPC212967
0.9474	High Similarity	NPC96342
0.9474	High Similarity	NPC246647
0.9463	High Similarity	NPC78335
0.9463	High Similarity	NPC230713
0.9463	High Similarity	NPC167576
0.9408	High Similarity	NPC180924
0.94	High Similarity	NPC170169
0.9396	High Similarity	NPC10027
0.9396	High Similarity	NPC178202
0.9396	High Similarity	NPC37208
0.9396	High Similarity	NPC221868
0.9396	High Similarity	NPC65775
0.9392	High Similarity	NPC17816
0.9388	High Similarity	NPC155144
0.9346	High Similarity	NPC65504
0.9329	High Similarity	NPC272194
0.9281	High Similarity	NPC137100
0.9276	High Similarity	NPC1477
0.9276	High Similarity	NPC213608
0.9267	High Similarity	NPC226644
0.9267	High Similarity	NPC37226
0.9257	High Similarity	NPC98926
0.9257	High Similarity	NPC230943
0.9216	High Similarity	NPC198490
0.9211	High Similarity	NPC5871
0.92	High Similarity	NPC135325
0.9195	High Similarity	NPC210826
0.9189	High Similarity	NPC302181
0.9177	High Similarity	NPC53640
0.9172	High Similarity	NPC159508
0.915	High Similarity	NPC183874
0.915	High Similarity	NPC95842
0.915	High Similarity	NPC280530
0.915	High Similarity	NPC178964
0.9145	High Similarity	NPC258249
0.9133	High Similarity	NPC130581
0.9133	High Similarity	NPC12148
0.9122	High Similarity	NPC53192
0.9114	High Similarity	NPC474591
0.9108	High Similarity	NPC477239
0.9108	High Similarity	NPC3448
0.9097	High Similarity	NPC296957
0.9097	High Similarity	NPC260902
0.9085	High Similarity	NPC67654
0.9079	High Similarity	NPC13282
0.9079	High Similarity	NPC227122
0.9079	High Similarity	NPC295036
0.9067	High Similarity	NPC51641
0.9067	High Similarity	NPC300267
0.906	High Similarity	NPC225884
0.9054	High Similarity	NPC49108
0.9051	High Similarity	NPC133065
0.9045	High Similarity	NPC30655
0.9045	High Similarity	NPC74854
0.9045	High Similarity	NPC45124
0.9038	High Similarity	NPC244750
0.9038	High Similarity	NPC40583
0.9038	High Similarity	NPC472877
0.9032	High Similarity	NPC247677
0.9032	High Similarity	NPC160015
0.9026	High Similarity	NPC210942
0.9026	High Similarity	NPC329844
0.9026	High Similarity	NPC169990
0.902	High Similarity	NPC156244
0.9013	High Similarity	NPC39929
0.9013	High Similarity	NPC473978
0.9013	High Similarity	NPC158338
0.9013	High Similarity	NPC65589
0.9013	High Similarity	NPC296030
0.9013	High Similarity	NPC288036
0.9013	High Similarity	NPC97029
0.9013	High Similarity	NPC317492
0.9013	High Similarity	NPC97028
0.9013	High Similarity	NPC100985
0.9007	High Similarity	NPC17101
0.9007	High Similarity	NPC259632
0.9007	High Similarity	NPC77903
0.9	High Similarity	NPC311741
0.9	High Similarity	NPC234629
0.8994	High Similarity	NPC39306
0.8994	High Similarity	NPC169471
0.8994	High Similarity	NPC136641
0.8993	High Similarity	NPC310340
0.8987	High Similarity	NPC219861
0.8987	High Similarity	NPC193998
0.8987	High Similarity	NPC312056
0.8987	High Similarity	NPC84515
0.8986	High Similarity	NPC275734
0.8981	High Similarity	NPC304839
0.8981	High Similarity	NPC115432
0.8981	High Similarity	NPC260296
0.8981	High Similarity	NPC220582
0.8968	High Similarity	NPC55662
0.8968	High Similarity	NPC166054
0.8961	High Similarity	NPC41326
0.8961	High Similarity	NPC474843
0.8957	High Similarity	NPC227906
0.8954	High Similarity	NPC120105
0.8954	High Similarity	NPC470107
0.8954	High Similarity	NPC101957
0.8947	High Similarity	NPC256672
0.8947	High Similarity	NPC7025
0.8947	High Similarity	NPC37135
0.8947	High Similarity	NPC168085
0.8947	High Similarity	NPC186397
0.8947	High Similarity	NPC27221
0.894	High Similarity	NPC196114
0.894	High Similarity	NPC299011
0.8938	High Similarity	NPC277480
0.8933	High Similarity	NPC17262
0.8931	High Similarity	NPC155640
0.8926	High Similarity	NPC147688
0.8926	High Similarity	NPC64908
0.8926	High Similarity	NPC156590
0.8926	High Similarity	NPC118840
0.8926	High Similarity	NPC205006
0.8924	High Similarity	NPC188486
0.8917	High Similarity	NPC476349
0.8917	High Similarity	NPC476350
0.8912	High Similarity	NPC228661
0.891	High Similarity	NPC45131
0.8903	High Similarity	NPC122365
0.8896	High Similarity	NPC474417
0.8896	High Similarity	NPC310794
0.8896	High Similarity	NPC149085
0.8896	High Similarity	NPC149526
0.8889	High Similarity	NPC266499
0.8889	High Similarity	NPC474052
0.8889	High Similarity	NPC223988
0.8882	High Similarity	NPC7943
0.8882	High Similarity	NPC150215
0.8882	High Similarity	NPC50394
0.8882	High Similarity	NPC123202
0.8882	High Similarity	NPC286230
0.8882	High Similarity	NPC253730
0.8882	High Similarity	NPC22005
0.8875	High Similarity	NPC29411
0.8875	High Similarity	NPC329215
0.8875	High Similarity	NPC37183
0.8875	High Similarity	NPC259007
0.8875	High Similarity	NPC204088
0.8874	High Similarity	NPC311144
0.8874	High Similarity	NPC184649
0.8874	High Similarity	NPC303185
0.8868	High Similarity	NPC329760
0.8868	High Similarity	NPC472402
0.8868	High Similarity	NPC272722
0.8867	High Similarity	NPC144499
0.8867	High Similarity	NPC1534
0.8867	High Similarity	NPC159855
0.8867	High Similarity	NPC169479
0.8867	High Similarity	NPC11561
0.8867	High Similarity	NPC226636
0.8861	High Similarity	NPC470810
0.8859	High Similarity	NPC305355
0.8859	High Similarity	NPC172986
0.8859	High Similarity	NPC261227
0.8859	High Similarity	NPC270883
0.8859	High Similarity	NPC235239
0.8859	High Similarity	NPC475680
0.8854	High Similarity	NPC196448
0.8846	High Similarity	NPC254351
0.8844	High Similarity	NPC13408
0.8839	High Similarity	NPC217447
0.8839	High Similarity	NPC130015
0.8839	High Similarity	NPC40356
0.8839	High Similarity	NPC154683
0.8839	High Similarity	NPC38361
0.8839	High Similarity	NPC31627
0.8839	High Similarity	NPC125300
0.8839	High Similarity	NPC263676
0.8839	High Similarity	NPC476238
0.8839	High Similarity	NPC327269
0.8839	High Similarity	NPC253872
0.8831	High Similarity	NPC471115
0.8831	High Similarity	NPC321896
0.8831	High Similarity	NPC476185
0.8831	High Similarity	NPC472633
0.8831	High Similarity	NPC29777
0.8824	High Similarity	NPC266572
0.8824	High Similarity	NPC106328
0.8824	High Similarity	NPC35150
0.8824	High Similarity	NPC39195
0.8824	High Similarity	NPC216624

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC99199 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	308
0.1-0.2	939
0.2-0.3	1337
0.3-0.4	2502
0.4-0.5	2154
0.5-0.6	1241
0.6-0.7	478
0.7-0.8	150
0.8-0.85	44
0.85-0.9	7
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9097	High Similarity	NPD3749	Approved
0.875	High Similarity	NPD4378	Clinical (unspecified phase)
0.875	High Similarity	NPD7410	Clinical (unspecified phase)
0.8658	High Similarity	NPD2344	Approved
0.8562	High Similarity	NPD1511	Approved
0.8544	High Similarity	NPD2801	Approved
0.8544	High Similarity	NPD7819	Suspended
0.8523	High Similarity	NPD1510	Phase 2
0.8487	Intermediate Similarity	NPD3750	Approved
0.8477	Intermediate Similarity	NPD1549	Phase 2
0.8467	Intermediate Similarity	NPD2796	Approved
0.8457	Intermediate Similarity	NPD6959	Discontinued
0.8452	Intermediate Similarity	NPD1512	Approved
0.8438	Intermediate Similarity	NPD3882	Suspended
0.8431	Intermediate Similarity	NPD2309	Approved
0.8428	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8411	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8411	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8378	Intermediate Similarity	NPD1240	Approved
0.8365	Intermediate Similarity	NPD1934	Approved
0.8355	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8313	Intermediate Similarity	NPD3818	Discontinued
0.8301	Intermediate Similarity	NPD2800	Approved
0.8301	Intermediate Similarity	NPD1243	Approved
0.8293	Intermediate Similarity	NPD6232	Discontinued
0.828	Intermediate Similarity	NPD920	Approved
0.8269	Intermediate Similarity	NPD2534	Approved
0.8269	Intermediate Similarity	NPD2532	Approved
0.8269	Intermediate Similarity	NPD2533	Approved
0.8267	Intermediate Similarity	NPD1607	Approved
0.8261	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8253	Intermediate Similarity	NPD7473	Discontinued
0.8242	Intermediate Similarity	NPD3926	Phase 2
0.8239	Intermediate Similarity	NPD4380	Phase 2
0.8225	Intermediate Similarity	NPD6559	Discontinued
0.8187	Intermediate Similarity	NPD7411	Suspended
0.8171	Intermediate Similarity	NPD5494	Approved
0.816	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8158	Intermediate Similarity	NPD3748	Approved
0.8153	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8098	Intermediate Similarity	NPD7768	Phase 2
0.8084	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD6166	Phase 2
0.8063	Intermediate Similarity	NPD3226	Approved
0.8049	Intermediate Similarity	NPD7075	Discontinued
0.8039	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8037	Intermediate Similarity	NPD3817	Phase 2
0.8025	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD1247	Approved
0.8	Intermediate Similarity	NPD4287	Approved
0.7988	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD6099	Approved
0.7987	Intermediate Similarity	NPD6100	Approved
0.7975	Intermediate Similarity	NPD1465	Phase 2
0.7975	Intermediate Similarity	NPD6799	Approved
0.7975	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD7390	Discontinued
0.7941	Intermediate Similarity	NPD5844	Phase 1
0.7935	Intermediate Similarity	NPD2346	Discontinued
0.7914	Intermediate Similarity	NPD6801	Discontinued
0.7901	Intermediate Similarity	NPD6599	Discontinued
0.7892	Intermediate Similarity	NPD919	Approved
0.7881	Intermediate Similarity	NPD3764	Approved
0.7871	Intermediate Similarity	NPD2935	Discontinued
0.7836	Intermediate Similarity	NPD7054	Approved
0.7834	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD1471	Phase 3
0.7818	Intermediate Similarity	NPD5402	Approved
0.7818	Intermediate Similarity	NPD2296	Approved
0.7806	Intermediate Similarity	NPD2799	Discontinued
0.7791	Intermediate Similarity	NPD7472	Approved
0.7791	Intermediate Similarity	NPD7074	Phase 3
0.7778	Intermediate Similarity	NPD943	Approved
0.7763	Intermediate Similarity	NPD2313	Discontinued
0.7759	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD1551	Phase 2
0.7751	Intermediate Similarity	NPD7229	Phase 3
0.7746	Intermediate Similarity	NPD6797	Phase 2
0.7733	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7701	Intermediate Similarity	NPD7251	Discontinued
0.7697	Intermediate Similarity	NPD4625	Phase 3
0.7673	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7657	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7657	Intermediate Similarity	NPD7808	Phase 3
0.7647	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD5710	Approved
0.7647	Intermediate Similarity	NPD5711	Approved
0.7616	Intermediate Similarity	NPD2798	Approved
0.7607	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD5403	Approved
0.7595	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.758	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7572	Intermediate Similarity	NPD3751	Discontinued
0.755	Intermediate Similarity	NPD1203	Approved
0.755	Intermediate Similarity	NPD1470	Approved
0.7545	Intermediate Similarity	NPD5761	Phase 2
0.7545	Intermediate Similarity	NPD5760	Phase 2
0.7543	Intermediate Similarity	NPD5953	Discontinued
0.7543	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD5408	Approved
0.7532	Intermediate Similarity	NPD5404	Approved
0.7532	Intermediate Similarity	NPD3268	Approved
0.7532	Intermediate Similarity	NPD5405	Approved
0.7532	Intermediate Similarity	NPD5406	Approved
0.7529	Intermediate Similarity	NPD7286	Phase 2
0.7516	Intermediate Similarity	NPD4908	Phase 1
0.75	Intermediate Similarity	NPD4288	Approved
0.7486	Intermediate Similarity	NPD8434	Phase 2
0.7485	Intermediate Similarity	NPD7199	Phase 2
0.7485	Intermediate Similarity	NPD6280	Approved
0.7485	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD5401	Approved
0.7485	Intermediate Similarity	NPD6279	Approved
0.7468	Intermediate Similarity	NPD4308	Phase 3
0.7468	Intermediate Similarity	NPD7033	Discontinued
0.7453	Intermediate Similarity	NPD4628	Phase 3
0.7452	Intermediate Similarity	NPD6651	Approved
0.7442	Intermediate Similarity	NPD3787	Discontinued
0.7434	Intermediate Similarity	NPD2797	Approved
0.7419	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7418	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7401	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD1201	Approved
0.7399	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD447	Suspended
0.7371	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD9717	Approved
0.7351	Intermediate Similarity	NPD1608	Approved
0.7341	Intermediate Similarity	NPD6808	Phase 2
0.7326	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD8312	Approved
0.7318	Intermediate Similarity	NPD8313	Approved
0.7317	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD4749	Approved
0.7297	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD4361	Phase 2
0.729	Intermediate Similarity	NPD6832	Phase 2
0.729	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD1610	Phase 2
0.7285	Intermediate Similarity	NPD422	Phase 1
0.7284	Intermediate Similarity	NPD2654	Approved
0.7278	Intermediate Similarity	NPD230	Phase 1
0.7278	Intermediate Similarity	NPD37	Approved
0.7278	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD6234	Discontinued
0.7257	Intermediate Similarity	NPD2403	Approved
0.7251	Intermediate Similarity	NPD4967	Phase 2
0.7251	Intermediate Similarity	NPD4966	Approved
0.7251	Intermediate Similarity	NPD4965	Approved
0.7248	Intermediate Similarity	NPD1548	Phase 1
0.7243	Intermediate Similarity	NPD4360	Phase 2
0.7243	Intermediate Similarity	NPD4363	Phase 3
0.7239	Intermediate Similarity	NPD7003	Approved
0.7226	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD4307	Phase 2
0.7208	Intermediate Similarity	NPD3267	Approved
0.7208	Intermediate Similarity	NPD3266	Approved
0.7197	Intermediate Similarity	NPD411	Approved
0.7191	Intermediate Similarity	NPD1729	Discontinued
0.7176	Intermediate Similarity	NPD6844	Discontinued
0.7175	Intermediate Similarity	NPD7177	Discontinued
0.7152	Intermediate Similarity	NPD17	Approved
0.7143	Intermediate Similarity	NPD1876	Approved
0.7143	Intermediate Similarity	NPD3225	Approved
0.7143	Intermediate Similarity	NPD6776	Approved
0.7143	Intermediate Similarity	NPD6782	Approved
0.7143	Intermediate Similarity	NPD6779	Approved
0.7143	Intermediate Similarity	NPD6780	Approved
0.7143	Intermediate Similarity	NPD6781	Approved
0.7143	Intermediate Similarity	NPD6777	Approved
0.7143	Intermediate Similarity	NPD6778	Approved
0.7143	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD6273	Approved
0.7124	Intermediate Similarity	NPD3972	Approved
0.7115	Intermediate Similarity	NPD2861	Phase 2
0.7114	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD8151	Discontinued
0.711	Intermediate Similarity	NPD6971	Discontinued
0.7107	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD1613	Approved
0.7093	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7871	Phase 2
0.7083	Intermediate Similarity	NPD7870	Phase 2
0.7074	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD4575	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD1252	Clinical (unspecified phase)
0.7043	Intermediate Similarity	NPD3269	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD7783	Phase 2
0.7041	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD7696	Phase 3
0.7031	Intermediate Similarity	NPD7435	Discontinued
0.7031	Intermediate Similarity	NPD7698	Approved
0.7031	Intermediate Similarity	NPD7697	Approved

Structure

CID99199 OpenBabel06191715442D 23 26 0 0 0 0 0 0 0 0999 V2000 0.5000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0468 -2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 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 -3.5686 -0.9945 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 -6.0468 -0.3364 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 -4.5468 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5468 -1.2024 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 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -0.3364 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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5468 -1.2024 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 -4.3776 0.4067 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 19 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 18 2 0 0 0 0 11 16 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 22 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5319888
ChEMBL	CHEMBL3397311
ZINC

Physicochemical Properties

Molecular Weight:	308.10
ALogP:	-0.1669
MLogP:	3.11
XLogP:	3.295
# Rotatable Bonds:	5
Polar Surface Area:	62.83
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	23

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