NPASS Natural Product

Natural Product: NPC475839

Natural Product ID:	NPC475839
Common Name:	n.a.
IUPAC Name:
Synonyms:	O-Methylaureol
Molecular Formula:	C22H32O2
Standard InCHIKey:	GFZLFKCEWJJEFW-SZLKJRAXSA-N
Standard InCHI:	InChI=1S/C22H32O2/c1-15-7-10-19-20(2,3)11-6-12-22(19)21(15,4)14-16-13-17(23-5)8-9-18(16)24-22/h8-9,13,15,19H,6-7,10-12,14H2,1-5H3/t15-,19-,21+,22-/m0/s1
Canonical SMILES:	COc1ccc2c(c1)C[C@]1([C@]3(O2)CCCC([C@@H]3CC[C@@H]1C)(C)C)C
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
NPO20958	Smenospongia aurea	Species	Thorectidae	Eukaryota		Jamaican		PMID[11975483]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	Inhibition	=	53	%	24273638

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 NPC475839 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	351
0.1-0.2	1318
0.2-0.3	1996
0.3-0.4	6318
0.4-0.5	7281
0.5-0.6	4586
0.6-0.7	7626
0.7-0.8	1315
0.8-0.85	66
0.85-0.9	26
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9417	High Similarity	NPC128321
0.9412	High Similarity	NPC248557
0.9262	High Similarity	NPC47288
0.9194	High Similarity	NPC153019
0.9048	High Similarity	NPC211352
0.904	High Similarity	NPC474200
0.8968	High Similarity	NPC27578
0.8968	High Similarity	NPC289624
0.8917	High Similarity	NPC212559
0.88	High Similarity	NPC176590
0.877	High Similarity	NPC476332
0.877	High Similarity	NPC473464
0.875	High Similarity	NPC51341
0.8702	High Similarity	NPC265335
0.8692	High Similarity	NPC474610
0.8689	High Similarity	NPC48623
0.8689	High Similarity	NPC168707
0.8661	High Similarity	NPC473048
0.8636	High Similarity	NPC76312
0.8636	High Similarity	NPC473049
0.8636	High Similarity	NPC472794
0.8629	High Similarity	NPC61685
0.8607	High Similarity	NPC45663
0.8595	High Similarity	NPC471449
0.8583	High Similarity	NPC187993
0.8583	High Similarity	NPC238176
0.8571	High Similarity	NPC472791
0.8571	High Similarity	NPC283169
0.8571	High Similarity	NPC472792
0.8525	High Similarity	NPC474131
0.85	High Similarity	NPC69539
0.85	High Similarity	NPC312105
0.8496	Intermediate Similarity	NPC79372
0.8443	Intermediate Similarity	NPC32152
0.8435	Intermediate Similarity	NPC30416
0.8425	Intermediate Similarity	NPC156298
0.8382	Intermediate Similarity	NPC474599
0.8374	Intermediate Similarity	NPC232295
0.837	Intermediate Similarity	NPC323126
0.8361	Intermediate Similarity	NPC139047
0.8347	Intermediate Similarity	NPC33900
0.832	Intermediate Similarity	NPC188997
0.8295	Intermediate Similarity	NPC222108
0.8295	Intermediate Similarity	NPC96719
0.8281	Intermediate Similarity	NPC186889
0.8279	Intermediate Similarity	NPC25648
0.8276	Intermediate Similarity	NPC326801
0.8264	Intermediate Similarity	NPC473718
0.8254	Intermediate Similarity	NPC261992
0.8244	Intermediate Similarity	NPC85595
0.8235	Intermediate Similarity	NPC275627
0.8235	Intermediate Similarity	NPC77772
0.8231	Intermediate Similarity	NPC249425
0.8231	Intermediate Similarity	NPC196193
0.8222	Intermediate Similarity	NPC252901
0.8211	Intermediate Similarity	NPC283616
0.8197	Intermediate Similarity	NPC242580
0.8197	Intermediate Similarity	NPC126759
0.8197	Intermediate Similarity	NPC236070
0.8197	Intermediate Similarity	NPC141001
0.8188	Intermediate Similarity	NPC90645
0.8175	Intermediate Similarity	NPC204535
0.8175	Intermediate Similarity	NPC46586
0.8175	Intermediate Similarity	NPC152946
0.8174	Intermediate Similarity	NPC12870
0.8174	Intermediate Similarity	NPC24327
0.8168	Intermediate Similarity	NPC258073
0.8167	Intermediate Similarity	NPC177962
0.8167	Intermediate Similarity	NPC62867
0.8167	Intermediate Similarity	NPC98372
0.8167	Intermediate Similarity	NPC474920
0.816	Intermediate Similarity	NPC129176
0.8154	Intermediate Similarity	NPC206028
0.813	Intermediate Similarity	NPC238075
0.8129	Intermediate Similarity	NPC475872
0.8125	Intermediate Similarity	NPC28476
0.8125	Intermediate Similarity	NPC133407
0.811	Intermediate Similarity	NPC474130
0.8088	Intermediate Similarity	NPC476191
0.8083	Intermediate Similarity	NPC470723
0.8083	Intermediate Similarity	NPC470770
0.8083	Intermediate Similarity	NPC266937
0.808	Intermediate Similarity	NPC260832
0.808	Intermediate Similarity	NPC135467
0.8077	Intermediate Similarity	NPC223912
0.806	Intermediate Similarity	NPC327382
0.8058	Intermediate Similarity	NPC472457
0.8047	Intermediate Similarity	NPC190086
0.8047	Intermediate Similarity	NPC75432
0.8047	Intermediate Similarity	NPC276962
0.8047	Intermediate Similarity	NPC474237
0.8033	Intermediate Similarity	NPC471534
0.803	Intermediate Similarity	NPC472590
0.8017	Intermediate Similarity	NPC280760
0.8015	Intermediate Similarity	NPC472797
0.8014	Intermediate Similarity	NPC212142
0.8	Intermediate Similarity	NPC21797
0.8	Intermediate Similarity	NPC194847
0.7985	Intermediate Similarity	NPC71372
0.7984	Intermediate Similarity	NPC76119
0.7984	Intermediate Similarity	NPC4286
0.7982	Intermediate Similarity	NPC470161
0.7971	Intermediate Similarity	NPC186033
0.797	Intermediate Similarity	NPC472798
0.7955	Intermediate Similarity	NPC472793
0.7955	Intermediate Similarity	NPC475880
0.7941	Intermediate Similarity	NPC474540
0.7941	Intermediate Similarity	NPC474530
0.7941	Intermediate Similarity	NPC474521
0.791	Intermediate Similarity	NPC469610
0.7907	Intermediate Similarity	NPC147896
0.7902	Intermediate Similarity	NPC195561
0.7902	Intermediate Similarity	NPC158784
0.7899	Intermediate Similarity	NPC320439
0.7899	Intermediate Similarity	NPC233320
0.7895	Intermediate Similarity	NPC473047
0.7883	Intermediate Similarity	NPC19869
0.7879	Intermediate Similarity	NPC472795
0.7879	Intermediate Similarity	NPC16577
0.7879	Intermediate Similarity	NPC472796
0.7874	Intermediate Similarity	NPC322569
0.7874	Intermediate Similarity	NPC473875
0.7874	Intermediate Similarity	NPC100108
0.7874	Intermediate Similarity	NPC277798
0.7872	Intermediate Similarity	NPC471608
0.7868	Intermediate Similarity	NPC265515
0.7868	Intermediate Similarity	NPC472800
0.7863	Intermediate Similarity	NPC473134
0.7857	Intermediate Similarity	NPC234956
0.7857	Intermediate Similarity	NPC323074
0.7847	Intermediate Similarity	NPC2745
0.7847	Intermediate Similarity	NPC302915
0.7846	Intermediate Similarity	NPC252962
0.7836	Intermediate Similarity	NPC469611
0.7829	Intermediate Similarity	NPC96940
0.7826	Intermediate Similarity	NPC221134
0.782	Intermediate Similarity	NPC11089
0.782	Intermediate Similarity	NPC475102
0.782	Intermediate Similarity	NPC196621
0.781	Intermediate Similarity	NPC306365
0.7803	Intermediate Similarity	NPC201069
0.7803	Intermediate Similarity	NPC38604
0.7803	Intermediate Similarity	NPC211179
0.7795	Intermediate Similarity	NPC318581
0.7795	Intermediate Similarity	NPC477037
0.7795	Intermediate Similarity	NPC103916
0.7795	Intermediate Similarity	NPC325544
0.7793	Intermediate Similarity	NPC157783
0.7793	Intermediate Similarity	NPC325860
0.777	Intermediate Similarity	NPC474850
0.777	Intermediate Similarity	NPC474851
0.7769	Intermediate Similarity	NPC256015
0.7769	Intermediate Similarity	NPC294156
0.7761	Intermediate Similarity	NPC8899
0.7761	Intermediate Similarity	NPC293203
0.7761	Intermediate Similarity	NPC164804
0.7761	Intermediate Similarity	NPC160623
0.7761	Intermediate Similarity	NPC118683
0.7761	Intermediate Similarity	NPC244888
0.7761	Intermediate Similarity	NPC474246
0.7761	Intermediate Similarity	NPC474143
0.7761	Intermediate Similarity	NPC211413
0.7761	Intermediate Similarity	NPC68205
0.776	Intermediate Similarity	NPC290470
0.776	Intermediate Similarity	NPC471668
0.776	Intermediate Similarity	NPC81067
0.776	Intermediate Similarity	NPC9341
0.776	Intermediate Similarity	NPC154256
0.7752	Intermediate Similarity	NPC478058
0.7752	Intermediate Similarity	NPC302211
0.7744	Intermediate Similarity	NPC266868
0.7744	Intermediate Similarity	NPC93962
0.7744	Intermediate Similarity	NPC59654
0.7744	Intermediate Similarity	NPC271832
0.7742	Intermediate Similarity	NPC470837
0.7742	Intermediate Similarity	NPC87563
0.7734	Intermediate Similarity	NPC96423
0.7731	Intermediate Similarity	NPC475269
0.773	Intermediate Similarity	NPC316691
0.7727	Intermediate Similarity	NPC98745
0.7721	Intermediate Similarity	NPC474478
0.7721	Intermediate Similarity	NPC473107
0.7721	Intermediate Similarity	NPC27394
0.7717	Intermediate Similarity	NPC98748
0.771	Intermediate Similarity	NPC124030
0.771	Intermediate Similarity	NPC170749
0.7704	Intermediate Similarity	NPC189482
0.7687	Intermediate Similarity	NPC325003
0.7681	Intermediate Similarity	NPC471542
0.7681	Intermediate Similarity	NPC98804
0.768	Intermediate Similarity	NPC301321
0.768	Intermediate Similarity	NPC47194
0.7676	Intermediate Similarity	NPC292256
0.7676	Intermediate Similarity	NPC471600
0.7674	Intermediate Similarity	NPC476165
0.7669	Intermediate Similarity	NPC38664
0.7669	Intermediate Similarity	NPC53986
0.7669	Intermediate Similarity	NPC81261
0.7667	Intermediate Similarity	NPC53740
0.7667	Intermediate Similarity	NPC155072

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475839 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	347
0.1-0.2	1016
0.2-0.3	1102
0.3-0.4	2575
0.4-0.5	2137
0.5-0.6	1193
0.6-0.7	645
0.7-0.8	138
0.8-0.85	6
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8571	High Similarity	NPD6671	Approved
0.8548	High Similarity	NPD5327	Phase 3
0.8197	Intermediate Similarity	NPD7340	Approved
0.8189	Intermediate Similarity	NPD6696	Suspended
0.813	Intermediate Similarity	NPD7644	Approved
0.8095	Intermediate Similarity	NPD1611	Approved
0.8092	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD2861	Phase 2
0.7985	Intermediate Similarity	NPD6353	Approved
0.7951	Intermediate Similarity	NPD1398	Phase 1
0.7923	Intermediate Similarity	NPD4624	Approved
0.791	Intermediate Similarity	NPD5735	Approved
0.7895	Intermediate Similarity	NPD8032	Phase 2
0.7879	Intermediate Similarity	NPD4625	Phase 3
0.7857	Intermediate Similarity	NPD5585	Approved
0.7836	Intermediate Similarity	NPD4140	Approved
0.7829	Intermediate Similarity	NPD4749	Approved
0.7734	Intermediate Similarity	NPD3496	Discontinued
0.7717	Intermediate Similarity	NPD5691	Approved
0.7687	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7687	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7687	Intermediate Similarity	NPD7294	Phase 1
0.7681	Intermediate Similarity	NPD6100	Approved
0.7681	Intermediate Similarity	NPD6099	Approved
0.768	Intermediate Similarity	NPD7157	Approved
0.7669	Intermediate Similarity	NPD4908	Phase 1
0.7661	Intermediate Similarity	NPD5283	Phase 1
0.7652	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7615	Intermediate Similarity	NPD2232	Approved
0.7615	Intermediate Similarity	NPD2233	Approved
0.7615	Intermediate Similarity	NPD2230	Approved
0.7612	Intermediate Similarity	NPD7095	Approved
0.7594	Intermediate Similarity	NPD2237	Approved
0.7591	Intermediate Similarity	NPD4097	Suspended
0.7581	Intermediate Similarity	NPD7635	Approved
0.7581	Intermediate Similarity	NPD5535	Approved
0.7578	Intermediate Similarity	NPD3444	Approved
0.7578	Intermediate Similarity	NPD3445	Approved
0.7578	Intermediate Similarity	NPD3443	Approved
0.7576	Intermediate Similarity	NPD4098	Discontinued
0.7574	Intermediate Similarity	NPD3110	Approved
0.7574	Intermediate Similarity	NPD3109	Approved
0.7557	Intermediate Similarity	NPD4359	Approved
0.7557	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD968	Approved
0.7519	Intermediate Similarity	NPD4626	Approved
0.75	Intermediate Similarity	NPD8651	Approved
0.748	Intermediate Similarity	NPD5451	Approved
0.7445	Intermediate Similarity	NPD4060	Phase 1
0.7442	Intermediate Similarity	NPD1651	Approved
0.7442	Intermediate Similarity	NPD6382	Discontinued
0.7426	Intermediate Similarity	NPD7985	Registered
0.741	Intermediate Similarity	NPD7097	Phase 1
0.7405	Intermediate Similarity	NPD1610	Phase 2
0.7402	Intermediate Similarity	NPD2557	Approved
0.7402	Intermediate Similarity	NPD6387	Discontinued
0.7398	Intermediate Similarity	NPD2684	Approved
0.7395	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD6674	Discontinued
0.7385	Intermediate Similarity	NPD1778	Approved
0.7379	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD5763	Approved
0.7376	Intermediate Similarity	NPD5762	Approved
0.7357	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD3620	Phase 2
0.7308	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD7843	Approved
0.7286	Intermediate Similarity	NPD7119	Phase 2
0.7273	Intermediate Similarity	NPD1281	Approved
0.7266	Intermediate Similarity	NPD709	Approved
0.7266	Intermediate Similarity	NPD3657	Discovery
0.726	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD6584	Phase 3
0.7252	Intermediate Similarity	NPD17	Approved
0.7246	Intermediate Similarity	NPD4475	Approved
0.7246	Intermediate Similarity	NPD4870	Approved
0.7246	Intermediate Similarity	NPD4474	Approved
0.7239	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD6580	Approved
0.7231	Intermediate Similarity	NPD3091	Approved
0.7231	Intermediate Similarity	NPD6581	Approved
0.7222	Intermediate Similarity	NPD7466	Approved
0.7222	Intermediate Similarity	NPD1137	Approved
0.7222	Intermediate Similarity	NPD1139	Approved
0.7218	Intermediate Similarity	NPD2235	Phase 2
0.7218	Intermediate Similarity	NPD2231	Phase 2
0.7211	Intermediate Similarity	NPD6090	Discontinued
0.7211	Intermediate Similarity	NPD6273	Approved
0.7206	Intermediate Similarity	NPD1712	Approved
0.7203	Intermediate Similarity	NPD7037	Approved
0.7194	Intermediate Similarity	NPD2979	Phase 3
0.7185	Intermediate Similarity	NPD2797	Approved
0.7177	Intermediate Similarity	NPD290	Approved
0.7176	Intermediate Similarity	NPD3049	Approved
0.7165	Intermediate Similarity	NPD1138	Approved
0.7143	Intermediate Similarity	NPD4622	Approved
0.7143	Intermediate Similarity	NPD4618	Approved
0.7133	Intermediate Similarity	NPD2346	Discontinued
0.7133	Intermediate Similarity	NPD7030	Discontinued
0.7132	Intermediate Similarity	NPD7905	Discontinued
0.7122	Intermediate Similarity	NPD7477	Discontinued
0.7122	Intermediate Similarity	NPD7265	Discontinued
0.7121	Intermediate Similarity	NPD5846	Approved
0.7121	Intermediate Similarity	NPD3095	Discontinued
0.7121	Intermediate Similarity	NPD6516	Phase 2
0.7121	Intermediate Similarity	NPD2668	Approved
0.7121	Intermediate Similarity	NPD4059	Approved
0.7121	Intermediate Similarity	NPD2667	Approved
0.7111	Intermediate Similarity	NPD1283	Approved
0.7109	Intermediate Similarity	NPD498	Approved
0.7109	Intermediate Similarity	NPD496	Approved
0.7109	Intermediate Similarity	NPD495	Approved
0.7105	Intermediate Similarity	NPD5929	Approved
0.7103	Intermediate Similarity	NPD7003	Approved
0.7092	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD2157	Approved
0.709	Intermediate Similarity	NPD1608	Approved
0.709	Intermediate Similarity	NPD1840	Phase 2
0.708	Intermediate Similarity	NPD5736	Approved
0.7077	Intermediate Similarity	NPD3596	Phase 2
0.7075	Intermediate Similarity	NPD7041	Phase 2
0.7075	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD2238	Phase 2
0.7067	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3267	Approved
0.7059	Intermediate Similarity	NPD3266	Approved
0.7054	Intermediate Similarity	NPD497	Approved
0.7045	Intermediate Similarity	NPD3024	Approved
0.7045	Intermediate Similarity	NPD3025	Approved
0.7042	Intermediate Similarity	NPD5688	Approved
0.7042	Intermediate Similarity	NPD5689	Approved
0.704	Intermediate Similarity	NPD2342	Discontinued
0.7039	Intermediate Similarity	NPD5722	Discontinued
0.7037	Intermediate Similarity	NPD6583	Phase 3
0.7037	Intermediate Similarity	NPD6582	Phase 2
0.7037	Intermediate Similarity	NPD1669	Approved
0.7029	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD6355	Discontinued
0.7016	Intermediate Similarity	NPD9697	Approved
0.7015	Intermediate Similarity	NPD3092	Approved
0.7015	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD288	Approved
0.6993	Remote Similarity	NPD4108	Discontinued
0.6992	Remote Similarity	NPD3019	Approved
0.6992	Remote Similarity	NPD2556	Approved
0.6992	Remote Similarity	NPD2107	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD2554	Approved
0.6977	Remote Similarity	NPD594	Approved
0.6977	Remote Similarity	NPD592	Approved
0.697	Remote Similarity	NPD1548	Phase 1
0.697	Remote Similarity	NPD2486	Discontinued
0.697	Remote Similarity	NPD1182	Approved
0.6963	Remote Similarity	NPD3972	Approved
0.6963	Remote Similarity	NPD1244	Clinical (unspecified phase)
0.696	Remote Similarity	NPD3134	Approved
0.6957	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.695	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.695	Remote Similarity	NPD1613	Approved
0.6943	Remote Similarity	NPD8127	Discontinued
0.694	Remote Similarity	NPD3026	Approved
0.694	Remote Similarity	NPD3023	Approved
0.6934	Remote Similarity	NPD3094	Phase 2
0.6933	Remote Similarity	NPD4727	Phase 1
0.6929	Remote Similarity	NPD1336	Approved
0.6929	Remote Similarity	NPD6798	Discontinued
0.6929	Remote Similarity	NPD3268	Approved
0.6917	Remote Similarity	NPD844	Approved
0.6912	Remote Similarity	NPD6539	Approved
0.6912	Remote Similarity	NPD6542	Approved
0.6912	Remote Similarity	NPD6540	Phase 3
0.6912	Remote Similarity	NPD6543	Approved
0.6906	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD3051	Approved
0.6899	Remote Similarity	NPD821	Approved
0.6889	Remote Similarity	NPD3705	Approved
0.6885	Remote Similarity	NPD3020	Approved
0.6884	Remote Similarity	NPD3690	Phase 2
0.6884	Remote Similarity	NPD2798	Approved
0.6884	Remote Similarity	NPD3691	Phase 2
0.6879	Remote Similarity	NPD6663	Approved
0.6879	Remote Similarity	NPD6233	Phase 2
0.6875	Remote Similarity	NPD2154	Approved
0.6875	Remote Similarity	NPD2155	Approved
0.6875	Remote Similarity	NPD2156	Approved
0.6871	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD4110	Phase 3
0.6871	Remote Similarity	NPD5754	Discontinued
0.6867	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD2932	Approved
0.6866	Remote Similarity	NPD2423	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD6541	Approved
0.6861	Remote Similarity	NPD6538	Approved
0.6859	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD7833	Phase 2
0.6859	Remote Similarity	NPD7831	Phase 2

Structure

NPC475839 OpenBabel07101718222D 24 27 0 0 1 0 0 0 0 0999 V2000 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 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 -2.5981 -1.5000 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 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 -0.8660 1.5000 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 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 1 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 2.5981 -1.5000 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 -1.7321 -0.0000 0.0000 C 0 0 1 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 1 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 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 15 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 18 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 21 1 1 0 0 0 16 18 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 1 0 0 0 21 22 1 1 0 0 0 22 12 1 1 0 0 0 22 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11077980
ChEMBL	CHEMBL517151
ZINC

Physicochemical Properties

Molecular Weight:	328.24
ALogP:	1.7921
MLogP:	3.66
XLogP:	6.765
# Rotatable Bonds:	6
Polar Surface Area:	18.46
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	24

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