NPASS Natural Product

Natural Product: NPC474188

Natural Product ID:	NPC474188
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C21H24N2O2
Standard InCHIKey:	DLURXLKBFFIUFB-ZDUSSCGKSA-N
Standard InCHI:	InChI=1S/C21H24N2O2/c1-12(2)8-7-9-13(3)17-19-18(14(4)20(24)21(17)25)22-15-10-5-6-11-16(15)23-19/h5-6,8,10-11,13,24-25H,7,9H2,1-4H3/t13-/m0/s1
Canonical SMILES:	CC(=CCC[C@@H](c1c(O)c(O)c(c2c1nc1ccccc1n2)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
NPO20674	Pseudopterogorgia rigida	Species	Gorgoniidae	Eukaryota				PMID[9090873]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6397	Individual Protein	Macrophage scavenger receptor types I and II	Homo sapiens	IC50	=	71000	nM	20163894

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 NPC474188 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	411
0.1-0.2	1932
0.2-0.3	10296
0.3-0.4	4808
0.4-0.5	9945
0.5-0.6	2407
0.6-0.7	910
0.7-0.8	178
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8324	Intermediate Similarity	NPC314573
0.8057	Intermediate Similarity	NPC36168
0.7947	Intermediate Similarity	NPC128751
0.7938	Intermediate Similarity	NPC153042
0.7906	Intermediate Similarity	NPC469497
0.7906	Intermediate Similarity	NPC106833
0.7895	Intermediate Similarity	NPC214980
0.7789	Intermediate Similarity	NPC223427
0.7784	Intermediate Similarity	NPC288445
0.776	Intermediate Similarity	NPC246700
0.7739	Intermediate Similarity	NPC135887
0.7739	Intermediate Similarity	NPC199277
0.7704	Intermediate Similarity	NPC472193
0.7688	Intermediate Similarity	NPC474409
0.7662	Intermediate Similarity	NPC475070
0.7659	Intermediate Similarity	NPC294620
0.7644	Intermediate Similarity	NPC190007
0.7638	Intermediate Similarity	NPC249040
0.7634	Intermediate Similarity	NPC258773
0.7624	Intermediate Similarity	NPC304183
0.7604	Intermediate Similarity	NPC94943
0.7596	Intermediate Similarity	NPC79911
0.7586	Intermediate Similarity	NPC193777
0.7561	Intermediate Similarity	NPC5145
0.7541	Intermediate Similarity	NPC120798
0.7526	Intermediate Similarity	NPC88363
0.7525	Intermediate Similarity	NPC200836
0.7523	Intermediate Similarity	NPC160898
0.75	Intermediate Similarity	NPC212535
0.7488	Intermediate Similarity	NPC48353
0.7488	Intermediate Similarity	NPC86078
0.7488	Intermediate Similarity	NPC112206
0.7488	Intermediate Similarity	NPC202605
0.7477	Intermediate Similarity	NPC200888
0.7475	Intermediate Similarity	NPC211813
0.7463	Intermediate Similarity	NPC315957
0.7463	Intermediate Similarity	NPC470931
0.7463	Intermediate Similarity	NPC18348
0.7462	Intermediate Similarity	NPC280964
0.7462	Intermediate Similarity	NPC114335
0.7462	Intermediate Similarity	NPC141915
0.746	Intermediate Similarity	NPC312872
0.7459	Intermediate Similarity	NPC159319
0.7455	Intermediate Similarity	NPC218388
0.7446	Intermediate Similarity	NPC285635
0.7436	Intermediate Similarity	NPC66083
0.7405	Intermediate Similarity	NPC315214
0.7405	Intermediate Similarity	NPC47298
0.7396	Intermediate Similarity	NPC478032
0.7387	Intermediate Similarity	NPC326634
0.7368	Intermediate Similarity	NPC478074
0.7366	Intermediate Similarity	NPC475841
0.7366	Intermediate Similarity	NPC474145
0.7366	Intermediate Similarity	NPC32028
0.7358	Intermediate Similarity	NPC314394
0.7353	Intermediate Similarity	NPC53144
0.7346	Intermediate Similarity	NPC476041
0.7346	Intermediate Similarity	NPC304926
0.7345	Intermediate Similarity	NPC60553
0.7344	Intermediate Similarity	NPC72980
0.7343	Intermediate Similarity	NPC476116
0.734	Intermediate Similarity	NPC44161
0.734	Intermediate Similarity	NPC470586
0.7336	Intermediate Similarity	NPC280272
0.7336	Intermediate Similarity	NPC118121
0.732	Intermediate Similarity	NPC243058
0.7317	Intermediate Similarity	NPC314648
0.7316	Intermediate Similarity	NPC471294
0.7316	Intermediate Similarity	NPC259545
0.7315	Intermediate Similarity	NPC227908
0.7313	Intermediate Similarity	NPC243834
0.7313	Intermediate Similarity	NPC70956
0.731	Intermediate Similarity	NPC110741
0.7302	Intermediate Similarity	NPC126481
0.7296	Intermediate Similarity	NPC204385
0.7292	Intermediate Similarity	NPC283152
0.7286	Intermediate Similarity	NPC99666
0.7282	Intermediate Similarity	NPC472111
0.7282	Intermediate Similarity	NPC203635
0.7281	Intermediate Similarity	NPC470126
0.7277	Intermediate Similarity	NPC95898
0.726	Intermediate Similarity	NPC469589
0.7248	Intermediate Similarity	NPC253580
0.7246	Intermediate Similarity	NPC53344
0.7243	Intermediate Similarity	NPC26850
0.724	Intermediate Similarity	NPC288943
0.7238	Intermediate Similarity	NPC316981
0.723	Intermediate Similarity	NPC173080
0.7222	Intermediate Similarity	NPC211416
0.722	Intermediate Similarity	NPC475112
0.722	Intermediate Similarity	NPC291535
0.722	Intermediate Similarity	NPC475085
0.7217	Intermediate Similarity	NPC183407
0.7214	Intermediate Similarity	NPC131017
0.7208	Intermediate Similarity	NPC90415
0.7207	Intermediate Similarity	NPC295228
0.7206	Intermediate Similarity	NPC11017
0.7204	Intermediate Similarity	NPC266931
0.7203	Intermediate Similarity	NPC227824
0.7202	Intermediate Similarity	NPC477187
0.7198	Intermediate Similarity	NPC476124
0.7198	Intermediate Similarity	NPC476121
0.7196	Intermediate Similarity	NPC193267
0.7196	Intermediate Similarity	NPC213530
0.7195	Intermediate Similarity	NPC473182
0.7194	Intermediate Similarity	NPC62069
0.7191	Intermediate Similarity	NPC245657
0.7184	Intermediate Similarity	NPC162484
0.7177	Intermediate Similarity	NPC201697
0.7165	Intermediate Similarity	NPC232340
0.7163	Intermediate Similarity	NPC314297
0.7163	Intermediate Similarity	NPC315545
0.7157	Intermediate Similarity	NPC314002
0.7157	Intermediate Similarity	NPC476167
0.715	Intermediate Similarity	NPC204446
0.715	Intermediate Similarity	NPC36229
0.715	Intermediate Similarity	NPC476581
0.715	Intermediate Similarity	NPC16452
0.7143	Intermediate Similarity	NPC471178
0.7143	Intermediate Similarity	NPC85273
0.7136	Intermediate Similarity	NPC66815
0.7135	Intermediate Similarity	NPC280853
0.713	Intermediate Similarity	NPC310118
0.7129	Intermediate Similarity	NPC195314
0.7123	Intermediate Similarity	NPC110151
0.7123	Intermediate Similarity	NPC471080
0.7123	Intermediate Similarity	NPC469592
0.7121	Intermediate Similarity	NPC171171
0.7115	Intermediate Similarity	NPC313796
0.7115	Intermediate Similarity	NPC314855
0.7115	Intermediate Similarity	NPC313345
0.7115	Intermediate Similarity	NPC315638
0.7114	Intermediate Similarity	NPC324149
0.7113	Intermediate Similarity	NPC219848
0.7109	Intermediate Similarity	NPC9894
0.7108	Intermediate Similarity	NPC192315
0.7107	Intermediate Similarity	NPC204717
0.7101	Intermediate Similarity	NPC476098
0.7097	Intermediate Similarity	NPC122463
0.7095	Intermediate Similarity	NPC285016
0.7092	Intermediate Similarity	NPC118776
0.7092	Intermediate Similarity	NPC206201
0.7091	Intermediate Similarity	NPC252251
0.7088	Intermediate Similarity	NPC161292
0.7087	Intermediate Similarity	NPC267423
0.7085	Intermediate Similarity	NPC46580
0.7081	Intermediate Similarity	NPC26872
0.7079	Intermediate Similarity	NPC471596
0.7078	Intermediate Similarity	NPC279589
0.7077	Intermediate Similarity	NPC256268
0.7074	Intermediate Similarity	NPC25899
0.7072	Intermediate Similarity	NPC132329
0.7071	Intermediate Similarity	NPC42591
0.707	Intermediate Similarity	NPC473822
0.7067	Intermediate Similarity	NPC164374
0.7067	Intermediate Similarity	NPC137929
0.7062	Intermediate Similarity	NPC314834
0.7059	Intermediate Similarity	NPC77555
0.7059	Intermediate Similarity	NPC209174
0.7056	Intermediate Similarity	NPC133306
0.7056	Intermediate Similarity	NPC220765
0.7056	Intermediate Similarity	NPC469928
0.705	Intermediate Similarity	NPC183805
0.7049	Intermediate Similarity	NPC45048
0.7048	Intermediate Similarity	NPC477111
0.7047	Intermediate Similarity	NPC477185
0.7044	Intermediate Similarity	NPC276517
0.7039	Intermediate Similarity	NPC176538
0.7033	Intermediate Similarity	NPC476106
0.703	Intermediate Similarity	NPC133140
0.703	Intermediate Similarity	NPC195268
0.7027	Intermediate Similarity	NPC477531
0.7023	Intermediate Similarity	NPC314552
0.7022	Intermediate Similarity	NPC473183
0.7018	Intermediate Similarity	NPC162748
0.7014	Intermediate Similarity	NPC174672
0.7009	Intermediate Similarity	NPC235076
0.7009	Intermediate Similarity	NPC277351
0.7009	Intermediate Similarity	NPC473184
0.7005	Intermediate Similarity	NPC31930
0.6995	Remote Similarity	NPC279401
0.6995	Remote Similarity	NPC79293
0.6991	Remote Similarity	NPC469594
0.6991	Remote Similarity	NPC100079
0.6991	Remote Similarity	NPC23614
0.6986	Remote Similarity	NPC470500
0.6985	Remote Similarity	NPC476319
0.6983	Remote Similarity	NPC471594
0.6979	Remote Similarity	NPC1527
0.6978	Remote Similarity	NPC471598
0.6968	Remote Similarity	NPC6215
0.6967	Remote Similarity	NPC82548
0.6963	Remote Similarity	NPC316181
0.6963	Remote Similarity	NPC74562
0.6963	Remote Similarity	NPC151781
0.6963	Remote Similarity	NPC250448
0.6961	Remote Similarity	NPC43787
0.6961	Remote Similarity	NPC205934
0.6959	Remote Similarity	NPC473179
0.6959	Remote Similarity	NPC148409

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474188 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	285
0.1-0.2	661
0.2-0.3	1052
0.3-0.4	1270
0.4-0.5	2993
0.5-0.6	2216
0.6-0.7	624
0.7-0.8	60
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.798	Intermediate Similarity	NPD5530	Phase 1
0.7913	Intermediate Similarity	NPD5930	Phase 3
0.7696	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7684	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD5658	Approved
0.7574	Intermediate Similarity	NPD4795	Phase 2
0.7566	Intermediate Similarity	NPD6159	Phase 2
0.7513	Intermediate Similarity	NPD2762	Phase 2
0.7463	Intermediate Similarity	NPD1740	Approved
0.7463	Intermediate Similarity	NPD1739	Approved
0.7463	Intermediate Similarity	NPD2916	Discontinued
0.7435	Intermediate Similarity	NPD3920	Phase 2
0.7411	Intermediate Similarity	NPD5488	Discontinued
0.7405	Intermediate Similarity	NPD1685	Approved
0.7405	Intermediate Similarity	NPD1684	Approved
0.7403	Intermediate Similarity	NPD2882	Phase 1
0.7403	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD6158	Phase 2
0.7368	Intermediate Similarity	NPD6492	Phase 2
0.7344	Intermediate Similarity	NPD1503	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD7867	Phase 1
0.725	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD7222	Phase 2
0.7225	Intermediate Similarity	NPD7418	Discontinued
0.7211	Intermediate Similarity	NPD7474	Suspended
0.7194	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD5939	Approved
0.719	Intermediate Similarity	NPD5936	Approved
0.7179	Intermediate Similarity	NPD4204	Approved
0.7179	Intermediate Similarity	NPD4203	Approved
0.7172	Intermediate Similarity	NPD2383	Phase 1
0.7157	Intermediate Similarity	NPD2175	Phase 3
0.7157	Intermediate Similarity	NPD2177	Approved
0.7157	Intermediate Similarity	NPD2176	Approved
0.713	Intermediate Similarity	NPD5506	Approved
0.713	Intermediate Similarity	NPD5507	Approved
0.7108	Intermediate Similarity	NPD2727	Phase 2
0.7105	Intermediate Similarity	NPD4554	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD5902	Approved
0.7089	Intermediate Similarity	NPD5903	Approved
0.7081	Intermediate Similarity	NPD7453	Approved
0.7081	Intermediate Similarity	NPD7452	Approved
0.7053	Intermediate Similarity	NPD3931	Approved
0.7053	Intermediate Similarity	NPD3928	Approved
0.7051	Intermediate Similarity	NPD7726	Phase 1
0.704	Intermediate Similarity	NPD6494	Phase 2
0.7033	Intermediate Similarity	NPD3003	Approved
0.7033	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD3923	Approved
0.703	Intermediate Similarity	NPD3921	Approved
0.703	Intermediate Similarity	NPD3924	Approved
0.703	Intermediate Similarity	NPD3922	Approved
0.7023	Intermediate Similarity	NPD5164	Discontinued
0.7018	Intermediate Similarity	NPD7221	Approved
0.7018	Intermediate Similarity	NPD1954	Phase 1
0.7018	Intermediate Similarity	NPD7219	Approved
0.7009	Intermediate Similarity	NPD4897	Phase 2
0.7	Intermediate Similarity	NPD3930	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6290	Phase 2
0.6995	Remote Similarity	NPD2794	Discontinued
0.699	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD6227	Discontinued
0.6977	Remote Similarity	NPD7112	Discontinued
0.6971	Remote Similarity	NPD6975	Discontinued
0.6964	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD6455	Phase 3
0.6952	Remote Similarity	NPD4305	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD4502	Phase 2
0.6938	Remote Similarity	NPD6991	Approved
0.6927	Remote Similarity	NPD6717	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD5070	Clinical (unspecified phase)
0.6916	Remote Similarity	NPD3815	Phase 1
0.6916	Remote Similarity	NPD3816	Phase 1
0.6905	Remote Similarity	NPD4039	Approved
0.6905	Remote Similarity	NPD31	Approved
0.6905	Remote Similarity	NPD4033	Approved
0.6905	Remote Similarity	NPD4038	Approved
0.6905	Remote Similarity	NPD4035	Approved
0.6905	Remote Similarity	NPD4036	Approved
0.6905	Remote Similarity	NPD4037	Approved
0.6905	Remote Similarity	NPD4034	Approved
0.6905	Remote Similarity	NPD4122	Approved
0.6905	Remote Similarity	NPD32	Approved
0.6898	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD5100	Phase 3
0.6881	Remote Similarity	NPD7194	Discontinued
0.6881	Remote Similarity	NPD3763	Approved
0.6878	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD6590	Discontinued
0.6878	Remote Similarity	NPD4418	Discontinued
0.6878	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD3440	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD4044	Discontinued
0.6842	Remote Similarity	NPD4511	Phase 1
0.6835	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD3525	Discontinued
0.6829	Remote Similarity	NPD802	Phase 2
0.6827	Remote Similarity	NPD8395	Approved
0.6827	Remote Similarity	NPD8396	Approved
0.6821	Remote Similarity	NPD5934	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD7948	Phase 1
0.6812	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6808	Remote Similarity	NPD7671	Approved
0.6808	Remote Similarity	NPD7672	Approved
0.6804	Remote Similarity	NPD2781	Approved
0.6802	Remote Similarity	NPD6976	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD2782	Approved
0.6788	Remote Similarity	NPD2780	Approved
0.6771	Remote Similarity	NPD7426	Phase 1
0.6771	Remote Similarity	NPD7674	Phase 3
0.6771	Remote Similarity	NPD7675	Phase 3
0.6771	Remote Similarity	NPD7676	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD1325	Approved
0.6769	Remote Similarity	NPD1326	Approved
0.6768	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD6230	Discontinued
0.6766	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD5429	Discontinued
0.6751	Remote Similarity	NPD9690	Approved
0.6748	Remote Similarity	NPD3403	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD1038	Approved
0.6746	Remote Similarity	NPD1768	Approved
0.6745	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD5612	Discontinued
0.6741	Remote Similarity	NPD6977	Clinical (unspecified phase)
0.6741	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6741	Remote Similarity	NPD6978	Phase 2
0.6739	Remote Similarity	NPD5905	Phase 1
0.6731	Remote Similarity	NPD1622	Discontinued
0.6728	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD2616	Phase 3
0.6728	Remote Similarity	NPD2615	Phase 3
0.6717	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD6965	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD3813	Approved
0.6701	Remote Similarity	NPD925	Approved
0.6701	Remote Similarity	NPD926	Approved
0.6696	Remote Similarity	NPD3746	Discontinued
0.6683	Remote Similarity	NPD5512	Phase 3
0.6681	Remote Similarity	NPD8512	Phase 3
0.6667	Remote Similarity	NPD9695	Approved
0.6667	Remote Similarity	NPD8510	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8016	Phase 3
0.6667	Remote Similarity	NPD5425	Phase 1
0.6667	Remote Similarity	NPD5255	Approved
0.6667	Remote Similarity	NPD424	Approved
0.6667	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7558	Phase 2
0.6667	Remote Similarity	NPD6361	Phase 2
0.6667	Remote Similarity	NPD425	Approved
0.6652	Remote Similarity	NPD4996	Approved
0.6652	Remote Similarity	NPD4995	Approved
0.6651	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD2952	Discontinued
0.665	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD4131	Phase 3
0.6636	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD484	Approved
0.6634	Remote Similarity	NPD9714	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD2380	Approved
0.6633	Remote Similarity	NPD2382	Approved
0.6633	Remote Similarity	NPD2381	Approved
0.6632	Remote Similarity	NPD112	Approved
0.6632	Remote Similarity	NPD9705	Discontinued
0.6624	Remote Similarity	NPD3962	Phase 2
0.6624	Remote Similarity	NPD3959	Phase 2
0.6623	Remote Similarity	NPD7729	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD3963	Phase 1
0.6616	Remote Similarity	NPD3224	Phase 2
0.6608	Remote Similarity	NPD4925	Approved
0.6606	Remote Similarity	NPD2021	Discontinued
0.6606	Remote Similarity	NPD5097	Phase 2
0.6606	Remote Similarity	NPD6985	Discontinued
0.6599	Remote Similarity	NPD4724	Clinical (unspecified phase)
0.6594	Remote Similarity	NPD4080	Discontinued
0.6588	Remote Similarity	NPD2151	Approved
0.6587	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD5065	Approved
0.658	Remote Similarity	NPD3433	Clinical (unspecified phase)
0.6578	Remote Similarity	NPD4401	Phase 2
0.6578	Remote Similarity	NPD4403	Phase 3
0.6578	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6578	Remote Similarity	NPD6246	Approved
0.6577	Remote Similarity	NPD3875	Discontinued
0.6575	Remote Similarity	NPD5944	Phase 1
0.6575	Remote Similarity	NPD5945	Phase 1
0.6574	Remote Similarity	NPD6376	Discontinued
0.6573	Remote Similarity	NPD5669	Clinical (unspecified phase)
0.6566	Remote Similarity	NPD3975	Discontinued

Structure

NPC474188 OpenBabel07101718302D 25 27 0 0 1 0 0 0 0 0999 V2000 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -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 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 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0000 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 -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 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 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 -1.5000 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 3.4641 1.0000 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 1.7321 1.0000 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 0.0000 1.0000 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 2.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 13 3 1 1 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 16 23 2 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL463299
ZINC

Physicochemical Properties

Molecular Weight:	336.18
ALogP:	1.9222
MLogP:	3.33
XLogP:	5.339
# Rotatable Bonds:	10
Polar Surface Area:	66.24
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	25

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