NPASS Natural Product

Natural Product: NPC215711

Natural Product ID:	NPC215711
Common Name:	(5E)-7-Oxozeaenol
IUPAC Name:	(2E,5S,6S,8E,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione
Synonyms:	(5E)-7-Oxozeaenol
Molecular Formula:	C19H22O7
Standard InCHIKey:	NEQZWEXWOFPKOT-ULSULSEOSA-N
Standard InCHI:	InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15-,18+/m0/s1
Canonical SMILES:	COc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/C[C@@H](OC(=O)c2c(c1)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO802	Halla parthenopeia	NA	NA	NA	UNPD*
NPO15156	Euphorbia tithymaloides	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO25209	Curcuma aromatica	Species	Zingiberaceae	Eukaryota	UNPD*
NPO4414	Lilium lancifolium	Species	Liliaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	7
MIC	4

Activity Type	# Activity
Cell Line	5
Individual Protein	2
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4900	nM	21513293
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	1200	nM	21513293
NPT395	Cell Line	SF-268	Homo sapiens	IC50	=	5600	nM	21513293
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	4400	nM	21513293
NPT400	Cell Line	MDA-MB-435	Homo sapiens	IC50	=	5500	nM	21513293
NPT721	Individual Protein	Nuclear factor NF-kappa-B p65 subunit	Homo sapiens	IC50	=	11500	nM	21513293
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	500	ug/ml	21513293
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	500	ug/ml	21513293
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	MIC	>	500	ug/ml	21513293
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	500	ug/ml	21513293
NPT3442	Individual Protein	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens	IC50	=	1300	nM	26481152

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 NPC215711 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	239
0.1-0.2	1009
0.2-0.3	2233
0.3-0.4	4915
0.4-0.5	7486
0.5-0.6	3472
0.6-0.7	3706
0.7-0.8	4728
0.8-0.85	2662
0.85-0.9	361
0.9-0.95	68
0.95-1	10

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC73411
0.9929	High Similarity	NPC210320
0.9716	High Similarity	NPC86373
0.9716	High Similarity	NPC277426
0.9716	High Similarity	NPC280404
0.9716	High Similarity	NPC210425
0.9592	High Similarity	NPC99381
0.9574	High Similarity	NPC474385
0.9514	High Similarity	NPC472036
0.951	High Similarity	NPC472034
0.9444	High Similarity	NPC472033
0.9433	High Similarity	NPC158472
0.9371	High Similarity	NPC472006
0.9371	High Similarity	NPC51106
0.9366	High Similarity	NPC475730
0.9366	High Similarity	NPC67650
0.9366	High Similarity	NPC1704
0.932	High Similarity	NPC469670
0.932	High Similarity	NPC56204
0.932	High Similarity	NPC469619
0.9291	High Similarity	NPC33144
0.9291	High Similarity	NPC478200
0.9257	High Similarity	NPC215921
0.9257	High Similarity	NPC200773
0.9257	High Similarity	NPC240768
0.9257	High Similarity	NPC70016
0.9236	High Similarity	NPC469542
0.9231	High Similarity	NPC478201
0.9231	High Similarity	NPC244923
0.9231	High Similarity	NPC158634
0.9231	High Similarity	NPC472035
0.9225	High Similarity	NPC52358
0.922	High Similarity	NPC135837
0.9205	High Similarity	NPC246466
0.9195	High Similarity	NPC478224
0.9189	High Similarity	NPC472891
0.9184	High Similarity	NPC240622
0.9184	High Similarity	NPC471641
0.9184	High Similarity	NPC240253
0.9184	High Similarity	NPC471642
0.9178	High Similarity	NPC107625
0.9167	High Similarity	NPC469579
0.9155	High Similarity	NPC191835
0.9155	High Similarity	NPC212693
0.9155	High Similarity	NPC94248
0.9122	High Similarity	NPC476684
0.9122	High Similarity	NPC270160
0.9122	High Similarity	NPC237440
0.9122	High Similarity	NPC77325
0.9122	High Similarity	NPC4423
0.9116	High Similarity	NPC14098
0.911	High Similarity	NPC83272
0.911	High Similarity	NPC257558
0.9097	High Similarity	NPC478217
0.9097	High Similarity	NPC313123
0.9091	High Similarity	NPC268052
0.9091	High Similarity	NPC32360
0.9085	High Similarity	NPC70380
0.9079	High Similarity	NPC472889
0.9078	High Similarity	NPC182496
0.9078	High Similarity	NPC180905
0.9073	High Similarity	NPC478230
0.9073	High Similarity	NPC170189
0.9073	High Similarity	NPC472890
0.9073	High Similarity	NPC208173
0.9073	High Similarity	NPC69043
0.9067	High Similarity	NPC76041
0.9067	High Similarity	NPC115249
0.9067	High Similarity	NPC184284
0.9041	High Similarity	NPC126882
0.9041	High Similarity	NPC478203
0.9041	High Similarity	NPC210966
0.9034	High Similarity	NPC250755
0.9021	High Similarity	NPC177307
0.9021	High Similarity	NPC9121
0.9013	High Similarity	NPC472050
0.9007	High Similarity	NPC137301
0.9	High Similarity	NPC91809
0.8993	High Similarity	NPC84142
0.898	High Similarity	NPC312789
0.8973	High Similarity	NPC478202
0.8966	High Similarity	NPC90411
0.8958	High Similarity	NPC247409
0.8958	High Similarity	NPC139634
0.8958	High Similarity	NPC105456
0.8954	High Similarity	NPC478225
0.8954	High Similarity	NPC473395
0.8951	High Similarity	NPC71256
0.8947	High Similarity	NPC478221
0.8947	High Similarity	NPC79998
0.8947	High Similarity	NPC82592
0.8947	High Similarity	NPC16082
0.894	High Similarity	NPC167903
0.8936	High Similarity	NPC153783
0.8933	High Similarity	NPC179178
0.8933	High Similarity	NPC164762
0.8926	High Similarity	NPC153417
0.8919	High Similarity	NPC473023
0.8912	High Similarity	NPC95123
0.8912	High Similarity	NPC66404
0.8904	High Similarity	NPC96692
0.8904	High Similarity	NPC49108
0.8903	High Similarity	NPC117985
0.8896	High Similarity	NPC470339
0.8889	High Similarity	NPC472602
0.8889	High Similarity	NPC472403
0.8889	High Similarity	NPC475974
0.8882	High Similarity	NPC281477
0.8882	High Similarity	NPC478231
0.8881	High Similarity	NPC235115
0.8874	High Similarity	NPC46882
0.8874	High Similarity	NPC132990
0.8861	High Similarity	NPC283041
0.8854	High Similarity	NPC191930
0.8851	High Similarity	NPC134621
0.8839	High Similarity	NPC472055
0.8836	High Similarity	NPC472603
0.8836	High Similarity	NPC472605
0.8836	High Similarity	NPC472604
0.8836	High Similarity	NPC53649
0.8831	High Similarity	NPC77679
0.8831	High Similarity	NPC84935
0.8831	High Similarity	NPC190020
0.8828	High Similarity	NPC92655
0.8824	High Similarity	NPC317585
0.8819	High Similarity	NPC121243
0.8819	High Similarity	NPC178467
0.8819	High Similarity	NPC476333
0.8819	High Similarity	NPC472367
0.8819	High Similarity	NPC149372
0.8819	High Similarity	NPC473391
0.8819	High Similarity	NPC472364
0.8819	High Similarity	NPC65837
0.8819	High Similarity	NPC240147
0.8819	High Similarity	NPC474771
0.8819	High Similarity	NPC474849
0.8816	High Similarity	NPC470340
0.8808	High Similarity	NPC96501
0.8808	High Similarity	NPC295036
0.8808	High Similarity	NPC85131
0.88	High Similarity	NPC2569
0.88	High Similarity	NPC172329
0.8797	High Similarity	NPC20237
0.8794	High Similarity	NPC189823
0.8794	High Similarity	NPC219892
0.8792	High Similarity	NPC237208
0.8792	High Similarity	NPC163846
0.8792	High Similarity	NPC225173
0.879	High Similarity	NPC249181
0.8784	High Similarity	NPC151607
0.8784	High Similarity	NPC42540
0.8784	High Similarity	NPC245482
0.8784	High Similarity	NPC301751
0.8784	High Similarity	NPC184702
0.8776	High Similarity	NPC471644
0.8776	High Similarity	NPC471640
0.8776	High Similarity	NPC82913
0.8776	High Similarity	NPC105648
0.8776	High Similarity	NPC150023
0.8774	High Similarity	NPC477410
0.8767	High Similarity	NPC472600
0.8767	High Similarity	NPC165172
0.8767	High Similarity	NPC472601
0.8766	High Similarity	NPC227062
0.8766	High Similarity	NPC150227
0.8758	High Similarity	NPC155686
0.8741	High Similarity	NPC474097
0.8741	High Similarity	NPC175943
0.8733	High Similarity	NPC52106
0.8733	High Similarity	NPC137296
0.8733	High Similarity	NPC125801
0.8733	High Similarity	NPC8817
0.8733	High Similarity	NPC259632
0.8725	High Similarity	NPC29577
0.8725	High Similarity	NPC473692
0.8723	High Similarity	NPC307732
0.8723	High Similarity	NPC42292
0.8716	High Similarity	NPC148545
0.8716	High Similarity	NPC471731
0.8716	High Similarity	NPC159721
0.8716	High Similarity	NPC471417
0.8716	High Similarity	NPC354984
0.8716	High Similarity	NPC471639
0.8716	High Similarity	NPC471643
0.871	High Similarity	NPC478226
0.8707	High Similarity	NPC220106
0.8701	High Similarity	NPC80534
0.8701	High Similarity	NPC56786
0.8701	High Similarity	NPC38898
0.8701	High Similarity	NPC473241
0.8701	High Similarity	NPC199926
0.8701	High Similarity	NPC67396
0.8699	High Similarity	NPC474655
0.8699	High Similarity	NPC472368
0.8693	High Similarity	NPC35567
0.8693	High Similarity	NPC470338
0.8693	High Similarity	NPC171651
0.8693	High Similarity	NPC268992
0.8693	High Similarity	NPC180944
0.8693	High Similarity	NPC113608

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC215711 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	261
0.1-0.2	822
0.2-0.3	1694
0.3-0.4	2437
0.4-0.5	1994
0.5-0.6	1221
0.6-0.7	498
0.7-0.8	180
0.8-0.85	43
0.85-0.9	11
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8958	High Similarity	NPD970	Clinical (unspecified phase)
0.8784	High Similarity	NPD6799	Approved
0.871	High Similarity	NPD7075	Discontinued
0.8636	High Similarity	NPD7096	Clinical (unspecified phase)
0.8636	High Similarity	NPD7819	Suspended
0.86	High Similarity	NPD2532	Approved
0.86	High Similarity	NPD2534	Approved
0.86	High Similarity	NPD2533	Approved
0.8571	High Similarity	NPD6801	Discontinued
0.8562	High Similarity	NPD6599	Discontinued
0.8526	High Similarity	NPD3882	Suspended
0.8462	Intermediate Similarity	NPD3817	Phase 2
0.8442	Intermediate Similarity	NPD4380	Phase 2
0.8397	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8367	Intermediate Similarity	NPD1510	Phase 2
0.8366	Intermediate Similarity	NPD5403	Approved
0.8355	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8345	Intermediate Similarity	NPD1240	Approved
0.8344	Intermediate Similarity	NPD5402	Approved
0.8333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD1934	Approved
0.8322	Intermediate Similarity	NPD1549	Phase 2
0.8301	Intermediate Similarity	NPD1512	Approved
0.8272	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8272	Intermediate Similarity	NPD6166	Phase 2
0.8272	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8255	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8255	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD5401	Approved
0.8231	Intermediate Similarity	NPD1607	Approved
0.8212	Intermediate Similarity	NPD3750	Approved
0.8188	Intermediate Similarity	NPD2796	Approved
0.817	Intermediate Similarity	NPD1511	Approved
0.8165	Intermediate Similarity	NPD2801	Approved
0.8163	Intermediate Similarity	NPD230	Phase 1
0.8153	Intermediate Similarity	NPD7411	Suspended
0.8148	Intermediate Similarity	NPD6232	Discontinued
0.8144	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8133	Intermediate Similarity	NPD6797	Phase 2
0.8121	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.811	Intermediate Similarity	NPD7473	Discontinued
0.8092	Intermediate Similarity	NPD4628	Phase 3
0.8084	Intermediate Similarity	NPD7251	Discontinued
0.8067	Intermediate Similarity	NPD1551	Phase 2
0.8067	Intermediate Similarity	NPD2935	Discontinued
0.8063	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8061	Intermediate Similarity	NPD3818	Discontinued
0.8036	Intermediate Similarity	NPD7808	Phase 3
0.8012	Intermediate Similarity	NPD5844	Phase 1
0.8012	Intermediate Similarity	NPD3749	Approved
0.8012	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD7054	Approved
0.8	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7977	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD6959	Discontinued
0.7964	Intermediate Similarity	NPD7074	Phase 3
0.7964	Intermediate Similarity	NPD7472	Approved
0.7959	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.795	Intermediate Similarity	NPD7768	Phase 2
0.7939	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7885	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7881	Intermediate Similarity	NPD3748	Approved
0.787	Intermediate Similarity	NPD6559	Discontinued
0.7853	Intermediate Similarity	NPD919	Approved
0.7818	Intermediate Similarity	NPD5710	Approved
0.7818	Intermediate Similarity	NPD5711	Approved
0.7801	Intermediate Similarity	NPD9545	Approved
0.7792	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD9717	Approved
0.7738	Intermediate Similarity	NPD3751	Discontinued
0.7733	Intermediate Similarity	NPD943	Approved
0.7716	Intermediate Similarity	NPD1465	Phase 2
0.7697	Intermediate Similarity	NPD5494	Approved
0.7688	Intermediate Similarity	NPD3226	Approved
0.7682	Intermediate Similarity	NPD447	Suspended
0.7677	Intermediate Similarity	NPD2800	Approved
0.7677	Intermediate Similarity	NPD1243	Approved
0.7673	Intermediate Similarity	NPD920	Approved
0.766	Intermediate Similarity	NPD9493	Approved
0.7647	Intermediate Similarity	NPD2799	Discontinued
0.7647	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD6651	Approved
0.7628	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD1203	Approved
0.7605	Intermediate Similarity	NPD3787	Discontinued
0.7602	Intermediate Similarity	NPD5953	Discontinued
0.76	Intermediate Similarity	NPD411	Approved
0.7584	Intermediate Similarity	NPD6832	Phase 2
0.758	Intermediate Similarity	NPD6190	Approved
0.7562	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD3926	Phase 2
0.7548	Intermediate Similarity	NPD2346	Discontinued
0.7547	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD7199	Phase 2
0.7543	Intermediate Similarity	NPD8150	Discontinued
0.7541	Intermediate Similarity	NPD7435	Discontinued
0.75	Intermediate Similarity	NPD4060	Phase 1
0.75	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD7286	Phase 2
0.7484	Intermediate Similarity	NPD6100	Approved
0.7484	Intermediate Similarity	NPD6099	Approved
0.7473	Intermediate Similarity	NPD6782	Approved
0.7473	Intermediate Similarity	NPD6778	Approved
0.7473	Intermediate Similarity	NPD6781	Approved
0.7473	Intermediate Similarity	NPD6780	Approved
0.7473	Intermediate Similarity	NPD6779	Approved
0.7473	Intermediate Similarity	NPD6777	Approved
0.7473	Intermediate Similarity	NPD6776	Approved
0.7471	Intermediate Similarity	NPD8313	Approved
0.7471	Intermediate Similarity	NPD8312	Approved
0.7469	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD422	Phase 1
0.7458	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD2654	Approved
0.7451	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD6355	Discontinued
0.7443	Intermediate Similarity	NPD8434	Phase 2
0.744	Intermediate Similarity	NPD1247	Approved
0.7439	Intermediate Similarity	NPD37	Approved
0.7438	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD2344	Approved
0.7425	Intermediate Similarity	NPD6234	Discontinued
0.7419	Intermediate Similarity	NPD7033	Discontinued
0.7415	Intermediate Similarity	NPD9269	Phase 2
0.741	Intermediate Similarity	NPD4965	Approved
0.741	Intermediate Similarity	NPD4966	Approved
0.741	Intermediate Similarity	NPD4967	Phase 2
0.74	Intermediate Similarity	NPD9494	Approved
0.7386	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD7390	Discontinued
0.7372	Intermediate Similarity	NPD5405	Approved
0.7372	Intermediate Similarity	NPD5406	Approved
0.7372	Intermediate Similarity	NPD5408	Approved
0.7372	Intermediate Similarity	NPD5404	Approved
0.7368	Intermediate Similarity	NPD6798	Discontinued
0.7368	Intermediate Similarity	NPD3764	Approved
0.734	Intermediate Similarity	NPD8151	Discontinued
0.7333	Intermediate Similarity	NPD2798	Approved
0.7333	Intermediate Similarity	NPD1019	Discontinued
0.7329	Intermediate Similarity	NPD4626	Approved
0.7314	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD3027	Phase 3
0.7302	Intermediate Similarity	NPD7874	Approved
0.7302	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD1653	Approved
0.7297	Intermediate Similarity	NPD1608	Approved
0.7284	Intermediate Similarity	NPD6273	Approved
0.7267	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD9268	Approved
0.726	Intermediate Similarity	NPD5691	Approved
0.7258	Intermediate Similarity	NPD7698	Approved
0.7258	Intermediate Similarity	NPD7696	Phase 3
0.7258	Intermediate Similarity	NPD7697	Approved
0.7256	Intermediate Similarity	NPD7458	Discontinued
0.7255	Intermediate Similarity	NPD2313	Discontinued
0.7255	Intermediate Similarity	NPD3268	Approved
0.725	Intermediate Similarity	NPD2309	Approved
0.7246	Intermediate Similarity	NPD5353	Approved
0.7246	Intermediate Similarity	NPD4288	Approved
0.7233	Intermediate Similarity	NPD1652	Phase 2
0.7226	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD5124	Phase 1
0.7225	Intermediate Similarity	NPD7228	Approved
0.7219	Intermediate Similarity	NPD5647	Approved
0.7219	Intermediate Similarity	NPD7870	Phase 2
0.7219	Intermediate Similarity	NPD7871	Phase 2
0.7215	Intermediate Similarity	NPD5762	Approved
0.7215	Intermediate Similarity	NPD5763	Approved
0.7211	Intermediate Similarity	NPD1778	Approved
0.7209	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD6233	Phase 2
0.7198	Intermediate Similarity	NPD6535	Approved
0.7198	Intermediate Similarity	NPD6534	Approved
0.7196	Intermediate Similarity	NPD7701	Phase 2
0.7193	Intermediate Similarity	NPD7229	Phase 3
0.7188	Intermediate Similarity	NPD7003	Approved
0.7172	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD1613	Approved
0.7161	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD7685	Pre-registration
0.7152	Intermediate Similarity	NPD2797	Approved
0.7152	Intermediate Similarity	NPD1470	Approved
0.7151	Intermediate Similarity	NPD5242	Approved
0.7143	Intermediate Similarity	NPD3887	Approved
0.7143	Intermediate Similarity	NPD2354	Approved
0.7143	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7128	Intermediate Similarity	NPD8320	Phase 1
0.7128	Intermediate Similarity	NPD8319	Approved
0.7124	Intermediate Similarity	NPD4908	Phase 1
0.7115	Intermediate Similarity	NPD1933	Approved
0.7114	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD1201	Approved
0.7107	Intermediate Similarity	NPD6004	Phase 3
0.7107	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD1471	Phase 3
0.7107	Intermediate Similarity	NPD6006	Clinical (unspecified phase)

Structure

CID215711 OpenBabel06191716002D 26 27 0 0 1 0 0 0 0 0999 V2000 -0.9749 1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -4.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -3.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 0.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2157 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -4.0489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0817 -1.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 -3.4254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7818 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 -2.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 -4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -0.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5135 -4.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5637 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 -3.0245 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 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 1 1 6 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 18 1 0 0 0 0 15 21 1 6 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 18 23 1 6 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	9799061
ChEMBL	CHEMBL1801950
ZINC

Physicochemical Properties

Molecular Weight:	362.14
ALogP:	-0.6541
MLogP:	2.78
XLogP:	2.234
# Rotatable Bonds:	6
Polar Surface Area:	113.29
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	26

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