NPASS Natural Product

Natural Product: NPC96031

Natural Product ID:	NPC96031
Common Name:	Gramniphenol D
IUPAC Name:	1,4-dihydroxy-7-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-5-methoxyfluoren-9-one
Synonyms:	Gramniphenol D
Molecular Formula:	C19H18O6
Standard InCHIKey:	DEGBJQLDDFJQRR-CQSZACIVSA-N
Standard InCHI:	InChI=1S/C19H18O6/c1-9(2)14(22)8-25-10-6-11-16(15(7-10)24-3)17-12(20)4-5-13(21)18(17)19(11)23/h4-7,14,20-22H,1,8H2,2-3H3/t14-/m1/s1
Canonical SMILES:	COc1cc(OC[C@H](C(=C)C)O)cc2c1c1c(O)ccc(c1C2=O)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
NPO33109	arundina gramnifolia	Species	Orchidaceae	Eukaryota				PMID[23368966]

Biological Activity

Activity Type	# Activity
EC50	1
IC50	1
Others	4

Activity Type	# Activity
Cell Line	1
Organism	4
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1452	Cell Line	C8166	Homo sapiens	CC50	>	200	ug/ml	9358643
NPT2	Others	Unspecified		Ratio CC50/EC50	>	137		22168134
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	13.3	%	PubChem BioAssay data set
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	11.4	%	PubChem BioAssay data set
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	1.46	ug/ml	16562846
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	IC50	=	129200	nM	17844994

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 NPC96031 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	313
0.1-0.2	1104
0.2-0.3	2171
0.3-0.4	4954
0.4-0.5	7702
0.5-0.6	3266
0.6-0.7	3459
0.7-0.8	4552
0.8-0.85	2376
0.85-0.9	980
0.9-0.95	11
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9605	High Similarity	NPC303950
0.9286	High Similarity	NPC474843
0.9276	High Similarity	NPC216624
0.9114	High Similarity	NPC329091
0.9062	High Similarity	NPC472402
0.9057	High Similarity	NPC471976
0.9051	High Similarity	NPC477833
0.9038	High Similarity	NPC207624
0.9012	High Similarity	NPC53640
0.9006	High Similarity	NPC475985
0.9006	High Similarity	NPC133065
0.9	High Similarity	NPC3629
0.8974	High Similarity	NPC472423
0.8974	High Similarity	NPC193976
0.8974	High Similarity	NPC474772
0.8974	High Similarity	NPC115324
0.8974	High Similarity	NPC58668
0.8974	High Similarity	NPC106372
0.8974	High Similarity	NPC23668
0.8974	High Similarity	NPC474744
0.8957	High Similarity	NPC247973
0.8951	High Similarity	NPC326520
0.8951	High Similarity	NPC39306
0.8944	High Similarity	NPC84515
0.8944	High Similarity	NPC312056
0.8944	High Similarity	NPC472964
0.8938	High Similarity	NPC470810
0.8938	High Similarity	NPC472902
0.8931	High Similarity	NPC474208
0.8931	High Similarity	NPC210084
0.8931	High Similarity	NPC48208
0.8931	High Similarity	NPC181960
0.8931	High Similarity	NPC241904
0.8931	High Similarity	NPC162869
0.8931	High Similarity	NPC99597
0.8931	High Similarity	NPC300727
0.8931	High Similarity	NPC474836
0.8931	High Similarity	NPC470402
0.8931	High Similarity	NPC156057
0.8931	High Similarity	NPC475267
0.8924	High Similarity	NPC148938
0.8924	High Similarity	NPC37392
0.8924	High Similarity	NPC67396
0.8917	High Similarity	NPC142308
0.891	High Similarity	NPC37348
0.891	High Similarity	NPC227122
0.891	High Similarity	NPC472421
0.8896	High Similarity	NPC170245
0.8889	High Similarity	NPC197168
0.8889	High Similarity	NPC7483
0.8882	High Similarity	NPC30655
0.8882	High Similarity	NPC474186
0.8882	High Similarity	NPC74854
0.8882	High Similarity	NPC308992
0.8882	High Similarity	NPC103752
0.8882	High Similarity	NPC269117
0.8882	High Similarity	NPC474187
0.8882	High Similarity	NPC188486
0.8882	High Similarity	NPC45124
0.8882	High Similarity	NPC18714
0.8882	High Similarity	NPC49108
0.8875	High Similarity	NPC476242
0.8868	High Similarity	NPC235165
0.8868	High Similarity	NPC164427
0.8868	High Similarity	NPC24640
0.8868	High Similarity	NPC78492
0.8868	High Similarity	NPC255106
0.8868	High Similarity	NPC208152
0.8868	High Similarity	NPC274730
0.8868	High Similarity	NPC472916
0.8861	High Similarity	NPC135522
0.8861	High Similarity	NPC235333
0.8861	High Similarity	NPC89474
0.8861	High Similarity	NPC280937
0.8861	High Similarity	NPC472915
0.8854	High Similarity	NPC215921
0.8854	High Similarity	NPC70016
0.8854	High Similarity	NPC244577
0.8854	High Similarity	NPC471676
0.8854	High Similarity	NPC472420
0.8854	High Similarity	NPC240768
0.8854	High Similarity	NPC263384
0.8854	High Similarity	NPC472422
0.8854	High Similarity	NPC200773
0.8854	High Similarity	NPC471229
0.8846	High Similarity	NPC266499
0.8841	High Similarity	NPC117854
0.8841	High Similarity	NPC225419
0.8841	High Similarity	NPC6588
0.8841	High Similarity	NPC477154
0.8834	High Similarity	NPC234052
0.8834	High Similarity	NPC473286
0.8834	High Similarity	NPC25361
0.8827	High Similarity	NPC81679
0.8827	High Similarity	NPC473961
0.882	High Similarity	NPC321399
0.882	High Similarity	NPC263449
0.882	High Similarity	NPC474287
0.882	High Similarity	NPC475886
0.882	High Similarity	NPC36217
0.882	High Similarity	NPC56085
0.882	High Similarity	NPC220582
0.882	High Similarity	NPC304839
0.882	High Similarity	NPC228785
0.882	High Similarity	NPC14353
0.8812	High Similarity	NPC217677
0.8812	High Similarity	NPC472911
0.8812	High Similarity	NPC469584
0.8812	High Similarity	NPC96342
0.8812	High Similarity	NPC472913
0.8812	High Similarity	NPC165977
0.8812	High Similarity	NPC472914
0.8812	High Similarity	NPC96167
0.8812	High Similarity	NPC299520
0.8812	High Similarity	NPC245758
0.8812	High Similarity	NPC129684
0.8812	High Similarity	NPC222814
0.8812	High Similarity	NPC164110
0.8812	High Similarity	NPC246647
0.8812	High Similarity	NPC212967
0.8812	High Similarity	NPC196448
0.8812	High Similarity	NPC472910
0.8805	High Similarity	NPC213936
0.8805	High Similarity	NPC255807
0.8805	High Similarity	NPC20830
0.8805	High Similarity	NPC31018
0.8805	High Similarity	NPC472909
0.8805	High Similarity	NPC213622
0.8805	High Similarity	NPC175192
0.8805	High Similarity	NPC99199
0.8805	High Similarity	NPC297531
0.8805	High Similarity	NPC2928
0.8805	High Similarity	NPC256612
0.8797	High Similarity	NPC470340
0.8797	High Similarity	NPC327269
0.8797	High Similarity	NPC31627
0.8797	High Similarity	NPC171651
0.8797	High Similarity	NPC243171
0.8797	High Similarity	NPC476238
0.8797	High Similarity	NPC285623
0.8797	High Similarity	NPC473996
0.8797	High Similarity	NPC35567
0.8795	High Similarity	NPC260263
0.879	High Similarity	NPC267117
0.8782	High Similarity	NPC218569
0.8782	High Similarity	NPC186397
0.8782	High Similarity	NPC37135
0.878	High Similarity	NPC277480
0.878	High Similarity	NPC477517
0.878	High Similarity	NPC128293
0.8774	High Similarity	NPC299011
0.8774	High Similarity	NPC316769
0.8773	High Similarity	NPC329669
0.8773	High Similarity	NPC220313
0.8773	High Similarity	NPC472278
0.8773	High Similarity	NPC473313
0.8773	High Similarity	NPC124038
0.8773	High Similarity	NPC270837
0.8765	High Similarity	NPC40491
0.8765	High Similarity	NPC278052
0.8765	High Similarity	NPC32694
0.8765	High Similarity	NPC474351
0.8765	High Similarity	NPC61010
0.8765	High Similarity	NPC475883
0.8765	High Similarity	NPC66288
0.8758	High Similarity	NPC196879
0.8758	High Similarity	NPC100123
0.8758	High Similarity	NPC250214
0.8758	High Similarity	NPC210459
0.8758	High Similarity	NPC152904
0.8758	High Similarity	NPC195832
0.8758	High Similarity	NPC16935
0.8758	High Similarity	NPC186113
0.8758	High Similarity	NPC95936
0.875	High Similarity	NPC45131
0.875	High Similarity	NPC201837
0.875	High Similarity	NPC142339
0.875	High Similarity	NPC317383
0.875	High Similarity	NPC180924
0.8742	High Similarity	NPC69394
0.8742	High Similarity	NPC7989
0.8742	High Similarity	NPC145379
0.8742	High Similarity	NPC203080
0.8742	High Similarity	NPC223701
0.8742	High Similarity	NPC88645
0.8742	High Similarity	NPC183878
0.8742	High Similarity	NPC176775
0.8742	High Similarity	NPC47781
0.8742	High Similarity	NPC469405
0.8742	High Similarity	NPC95842
0.8742	High Similarity	NPC293286
0.8742	High Similarity	NPC167091
0.8742	High Similarity	NPC178964
0.8742	High Similarity	NPC206238
0.8742	High Similarity	NPC22519
0.8742	High Similarity	NPC25127
0.8742	High Similarity	NPC472583
0.8742	High Similarity	NPC124714
0.8742	High Similarity	NPC280530
0.8742	High Similarity	NPC160951

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC96031 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	325
0.1-0.2	830
0.2-0.3	1600
0.3-0.4	2527
0.4-0.5	2014
0.5-0.6	1115
0.6-0.7	523
0.7-0.8	179
0.8-0.85	42
0.85-0.9	6
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8742	High Similarity	NPD2801	Approved
0.8679	High Similarity	NPD1934	Approved
0.8634	High Similarity	NPD3882	Suspended
0.8625	High Similarity	NPD2393	Clinical (unspecified phase)
0.8553	High Similarity	NPD4380	Phase 2
0.8503	High Similarity	NPD3818	Discontinued
0.8476	Intermediate Similarity	NPD5494	Approved
0.8466	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8442	Intermediate Similarity	NPD1549	Phase 2
0.8395	Intermediate Similarity	NPD7819	Suspended
0.8383	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8383	Intermediate Similarity	NPD6166	Phase 2
0.8383	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8377	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8377	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8354	Intermediate Similarity	NPD7075	Discontinued
0.8354	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8344	Intermediate Similarity	NPD5402	Approved
0.8343	Intermediate Similarity	NPD5844	Phase 1
0.8313	Intermediate Similarity	NPD6959	Discontinued
0.8312	Intermediate Similarity	NPD2796	Approved
0.8291	Intermediate Similarity	NPD1511	Approved
0.8291	Intermediate Similarity	NPD6799	Approved
0.8282	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8247	Intermediate Similarity	NPD1510	Phase 2
0.8224	Intermediate Similarity	NPD1240	Approved
0.8221	Intermediate Similarity	NPD6801	Discontinued
0.821	Intermediate Similarity	NPD6599	Discontinued
0.8198	Intermediate Similarity	NPD6559	Discontinued
0.8187	Intermediate Similarity	NPD7074	Phase 3
0.8187	Intermediate Similarity	NPD1512	Approved
0.8182	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8155	Intermediate Similarity	NPD6232	Discontinued
0.815	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8133	Intermediate Similarity	NPD3749	Approved
0.8129	Intermediate Similarity	NPD7054	Approved
0.8125	Intermediate Similarity	NPD2533	Approved
0.8125	Intermediate Similarity	NPD2532	Approved
0.8125	Intermediate Similarity	NPD2534	Approved
0.8121	Intermediate Similarity	NPD3817	Phase 2
0.8121	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8118	Intermediate Similarity	NPD7473	Discontinued
0.8117	Intermediate Similarity	NPD1607	Approved
0.8089	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8081	Intermediate Similarity	NPD7472	Approved
0.8035	Intermediate Similarity	NPD6797	Phase 2
0.8023	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7989	Intermediate Similarity	NPD7251	Discontinued
0.7988	Intermediate Similarity	NPD1247	Approved
0.7987	Intermediate Similarity	NPD4628	Phase 3
0.7987	Intermediate Similarity	NPD3750	Approved
0.7965	Intermediate Similarity	NPD3751	Discontinued
0.7962	Intermediate Similarity	NPD2935	Discontinued
0.7952	Intermediate Similarity	NPD1465	Phase 2
0.7943	Intermediate Similarity	NPD7808	Phase 3
0.7939	Intermediate Similarity	NPD7411	Suspended
0.7925	Intermediate Similarity	NPD2800	Approved
0.7914	Intermediate Similarity	NPD5403	Approved
0.7911	Intermediate Similarity	NPD2344	Approved
0.7895	Intermediate Similarity	NPD3926	Phase 2
0.7889	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7882	Intermediate Similarity	NPD7199	Phase 2
0.7857	Intermediate Similarity	NPD7768	Phase 2
0.7849	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD3787	Discontinued
0.7829	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD920	Approved
0.7791	Intermediate Similarity	NPD5401	Approved
0.7756	Intermediate Similarity	NPD943	Approved
0.7736	Intermediate Similarity	NPD1551	Phase 2
0.7716	Intermediate Similarity	NPD2309	Approved
0.7711	Intermediate Similarity	NPD3226	Approved
0.7688	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7683	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.768	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD3748	Approved
0.7673	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7661	Intermediate Similarity	NPD919	Approved
0.7654	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7598	Intermediate Similarity	NPD8312	Approved
0.7598	Intermediate Similarity	NPD8313	Approved
0.7594	Intermediate Similarity	NPD6777	Approved
0.7594	Intermediate Similarity	NPD6779	Approved
0.7594	Intermediate Similarity	NPD6781	Approved
0.7594	Intermediate Similarity	NPD6776	Approved
0.7594	Intermediate Similarity	NPD6778	Approved
0.7594	Intermediate Similarity	NPD6782	Approved
0.7594	Intermediate Similarity	NPD6780	Approved
0.7593	Intermediate Similarity	NPD1243	Approved
0.7593	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD2346	Discontinued
0.7576	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD8434	Phase 2
0.7562	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD2799	Discontinued
0.7561	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD2861	Phase 2
0.7542	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD1613	Approved
0.7532	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD5711	Approved
0.7529	Intermediate Similarity	NPD5760	Phase 2
0.7529	Intermediate Similarity	NPD5710	Approved
0.7529	Intermediate Similarity	NPD5761	Phase 2
0.7528	Intermediate Similarity	NPD5953	Discontinued
0.7516	Intermediate Similarity	NPD6099	Approved
0.7516	Intermediate Similarity	NPD6100	Approved
0.7515	Intermediate Similarity	NPD7390	Discontinued
0.7514	Intermediate Similarity	NPD7286	Phase 2
0.7484	Intermediate Similarity	NPD230	Phase 1
0.7474	Intermediate Similarity	NPD7435	Discontinued
0.7471	Intermediate Similarity	NPD37	Approved
0.7457	Intermediate Similarity	NPD6234	Discontinued
0.7453	Intermediate Similarity	NPD7033	Discontinued
0.7452	Intermediate Similarity	NPD3027	Phase 3
0.7442	Intermediate Similarity	NPD4965	Approved
0.7442	Intermediate Similarity	NPD4966	Approved
0.7442	Intermediate Similarity	NPD4967	Phase 2
0.7429	Intermediate Similarity	NPD7229	Phase 3
0.7425	Intermediate Similarity	NPD6273	Approved
0.7418	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD7685	Pre-registration
0.7385	Intermediate Similarity	NPD7783	Phase 2
0.7385	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7382	Intermediate Similarity	NPD7697	Approved
0.7382	Intermediate Similarity	NPD7698	Approved
0.7382	Intermediate Similarity	NPD7696	Phase 3
0.7381	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD8150	Discontinued
0.7375	Intermediate Similarity	NPD447	Suspended
0.7375	Intermediate Similarity	NPD6355	Discontinued
0.7371	Intermediate Similarity	NPD8151	Discontinued
0.7368	Intermediate Similarity	NPD6844	Discontinued
0.7355	Intermediate Similarity	NPD1876	Approved
0.7344	Intermediate Similarity	NPD7871	Phase 2
0.7344	Intermediate Similarity	NPD7870	Phase 2
0.733	Intermediate Similarity	NPD6823	Phase 2
0.7329	Intermediate Similarity	NPD6651	Approved
0.7326	Intermediate Similarity	NPD6534	Approved
0.7326	Intermediate Similarity	NPD6535	Approved
0.732	Intermediate Similarity	NPD7701	Phase 2
0.7308	Intermediate Similarity	NPD1203	Approved
0.7296	Intermediate Similarity	NPD2313	Discontinued
0.7289	Intermediate Similarity	NPD6190	Approved
0.7278	Intermediate Similarity	NPD6832	Phase 2
0.7278	Intermediate Similarity	NPD4908	Phase 1
0.7278	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD7228	Approved
0.7256	Intermediate Similarity	NPD5763	Approved
0.7256	Intermediate Similarity	NPD1471	Phase 3
0.7256	Intermediate Similarity	NPD5762	Approved
0.7249	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7245	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7245	Intermediate Similarity	NPD7874	Approved
0.7235	Intermediate Similarity	NPD1653	Approved
0.7234	Intermediate Similarity	NPD4360	Phase 2
0.7234	Intermediate Similarity	NPD4363	Phase 3
0.7233	Intermediate Similarity	NPD4625	Phase 3
0.7229	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD2424	Discontinued
0.7211	Intermediate Similarity	NPD7699	Phase 2
0.7211	Intermediate Similarity	NPD7700	Phase 2
0.7208	Intermediate Similarity	NPD7801	Approved
0.7205	Intermediate Similarity	NPD4060	Phase 1
0.7204	Intermediate Similarity	NPD4287	Approved
0.7198	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD1470	Approved
0.7193	Intermediate Similarity	NPD2649	Approved
0.7193	Intermediate Similarity	NPD2651	Approved
0.7188	Intermediate Similarity	NPD3764	Approved
0.7188	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD2296	Approved
0.7175	Intermediate Similarity	NPD8127	Discontinued
0.7161	Intermediate Similarity	NPD1610	Phase 2
0.716	Intermediate Similarity	NPD4662	Approved
0.716	Intermediate Similarity	NPD4661	Approved
0.7152	Intermediate Similarity	NPD2798	Approved
0.7152	Intermediate Similarity	NPD5647	Approved
0.7152	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD2403	Approved
0.7151	Intermediate Similarity	NPD4575	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6233	Phase 2
0.7126	Intermediate Similarity	NPD3892	Phase 2
0.7115	Intermediate Similarity	NPD1608	Approved
0.7115	Intermediate Similarity	NPD9717	Approved
0.7107	Intermediate Similarity	NPD9494	Approved
0.7105	Intermediate Similarity	NPD4361	Phase 2
0.7105	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD5242	Approved
0.7092	Intermediate Similarity	NPD7584	Approved
0.7091	Intermediate Similarity	NPD5405	Approved
0.7091	Intermediate Similarity	NPD5404	Approved

Structure

NPC96031 OpenBabel07101719242D 25 27 0 0 1 0 0 0 0 0999 V2000 -6.1472 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 2.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 1.8271 0.0000 C 0 0 0 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 -2.6831 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 -5.2812 1.8090 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 0 0 0 0 0 0 0 0 0 0 0.4067 2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 1.3090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.3090 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 0.5878 0.8090 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 -0.1810 3.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 1.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 15 2 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 11 19 1 0 0 0 0 12 17 2 0 0 0 0 12 20 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 6 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 23 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71578156
ChEMBL	CHEMBL2333778
ZINC

Physicochemical Properties

Molecular Weight:	342.11
ALogP:	-0.7355
MLogP:	2.89
XLogP:	0.625
# Rotatable Bonds:	10
Polar Surface Area:	96.22
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	25

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