NPASS Natural Product

Natural Product: NPC294244

Natural Product ID:	NPC294244
Common Name:	Enterocarpam I
IUPAC Name:
Synonyms:	Enterocarpam I
Molecular Formula:	C18H15NO5
Standard InCHIKey:	ZVCOGBCCWNHWGZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H15NO5/c1-22-11-6-4-5-8-12(11)17(24-3)15-13-9(18(21)19-15)7-10(20)16(23-2)14(8)13/h4-7,20H,1-3H3,(H,19,21)
Canonical SMILES:	COc1cccc2c1c(OC)c1N=C(c3c1c2c(OC)c(c3)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
NPO23507	Fissistigma balansae	Species	Annonaceae	Eukaryota				PMID[10978218]
NPO18509	Fissistigma oldhamii	Species	Annonaceae	Eukaryota				PMID[10978218]

Biological Activity

Activity Type	# Activity
Others	10

Activity Type	# Activity
Others	10

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Inhibition	=	25.8	%	23314046
NPT2	Others	Unspecified	Inhibition	=	86.5	%	23806109
NPT2	Others	Unspecified	Inhibition	=	46.4	%	11741470
NPT2	Others	Unspecified	Inhibition	=	13.5	%	16005223
NPT2	Others	Unspecified	Inhibition	=	72.9	%	19615900
NPT2	Others	Unspecified	Inhibition	=	83.5	%	19615900
NPT2	Others	Unspecified	Inhibition	=	83.7	%	19615900
NPT2	Others	Unspecified	Inhibition	=	70.8	%	16472241
NPT2	Others	Unspecified	Inhibition	=	43	%	17279797
NPT2	Others	Unspecified	Inhibition	=	2.2	%	24601675

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 NPC294244 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	1470
0.2-0.3	5591
0.3-0.4	7357
0.4-0.5	3862
0.5-0.6	8969
0.6-0.7	2986
0.7-0.8	280
0.8-0.85	7
0.85-0.9	5
0.9-0.95	11
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9419	High Similarity	NPC28425
0.9368	High Similarity	NPC22928
0.936	High Similarity	NPC119579
0.931	High Similarity	NPC219170
0.931	High Similarity	NPC180253
0.9302	High Similarity	NPC192939
0.9302	High Similarity	NPC215747
0.9302	High Similarity	NPC311936
0.9244	High Similarity	NPC260118
0.9195	High Similarity	NPC276060
0.9186	High Similarity	NPC265383
0.8895	High Similarity	NPC29472
0.8883	High Similarity	NPC112676
0.8883	High Similarity	NPC296742
0.8827	High Similarity	NPC224293
0.8771	High Similarity	NPC69213
0.8421	Intermediate Similarity	NPC159101
0.8235	Intermediate Similarity	NPC78284
0.8218	Intermediate Similarity	NPC235628
0.8167	Intermediate Similarity	NPC231371
0.8092	Intermediate Similarity	NPC18614
0.8035	Intermediate Similarity	NPC52475
0.8021	Intermediate Similarity	NPC320088
0.7944	Intermediate Similarity	NPC68328
0.7914	Intermediate Similarity	NPC276674
0.7914	Intermediate Similarity	NPC33902
0.7874	Intermediate Similarity	NPC200888
0.7778	Intermediate Similarity	NPC304183
0.7772	Intermediate Similarity	NPC168153
0.7705	Intermediate Similarity	NPC205421
0.7705	Intermediate Similarity	NPC12053
0.7705	Intermediate Similarity	NPC474931
0.7705	Intermediate Similarity	NPC81218
0.7705	Intermediate Similarity	NPC145832
0.7705	Intermediate Similarity	NPC306555
0.7705	Intermediate Similarity	NPC158376
0.7705	Intermediate Similarity	NPC117188
0.7701	Intermediate Similarity	NPC190461
0.7696	Intermediate Similarity	NPC474904
0.7676	Intermediate Similarity	NPC239775
0.7667	Intermediate Similarity	NPC329837
0.7622	Intermediate Similarity	NPC168753
0.7622	Intermediate Similarity	NPC118274
0.7596	Intermediate Similarity	NPC196447
0.7596	Intermediate Similarity	NPC253043
0.7596	Intermediate Similarity	NPC136508
0.7596	Intermediate Similarity	NPC306843
0.7596	Intermediate Similarity	NPC96603
0.7596	Intermediate Similarity	NPC212794
0.7596	Intermediate Similarity	NPC477563
0.7596	Intermediate Similarity	NPC13504
0.7596	Intermediate Similarity	NPC78222
0.759	Intermediate Similarity	NPC162653
0.7584	Intermediate Similarity	NPC275027
0.7566	Intermediate Similarity	NPC474507
0.7541	Intermediate Similarity	NPC324144
0.7541	Intermediate Similarity	NPC1229
0.754	Intermediate Similarity	NPC192135
0.754	Intermediate Similarity	NPC66341
0.754	Intermediate Similarity	NPC474051
0.754	Intermediate Similarity	NPC477020
0.754	Intermediate Similarity	NPC285941
0.7514	Intermediate Similarity	NPC195766
0.7514	Intermediate Similarity	NPC206736
0.7513	Intermediate Similarity	NPC312531
0.7513	Intermediate Similarity	NPC320223
0.7513	Intermediate Similarity	NPC114364
0.75	Intermediate Similarity	NPC105847
0.75	Intermediate Similarity	NPC148409
0.75	Intermediate Similarity	NPC218131
0.75	Intermediate Similarity	NPC243759
0.7486	Intermediate Similarity	NPC204179
0.7486	Intermediate Similarity	NPC60186
0.746	Intermediate Similarity	NPC148709
0.746	Intermediate Similarity	NPC476577
0.746	Intermediate Similarity	NPC173416
0.7457	Intermediate Similarity	NPC308768
0.7457	Intermediate Similarity	NPC12668
0.7447	Intermediate Similarity	NPC228040
0.7442	Intermediate Similarity	NPC266453
0.7442	Intermediate Similarity	NPC151656
0.7442	Intermediate Similarity	NPC200935
0.7442	Intermediate Similarity	NPC230919
0.7433	Intermediate Similarity	NPC477562
0.7433	Intermediate Similarity	NPC69712
0.7433	Intermediate Similarity	NPC26240
0.7432	Intermediate Similarity	NPC166014
0.7432	Intermediate Similarity	NPC27410
0.7424	Intermediate Similarity	NPC17677
0.7418	Intermediate Similarity	NPC306366
0.7416	Intermediate Similarity	NPC77359
0.7407	Intermediate Similarity	NPC128560
0.7407	Intermediate Similarity	NPC199465
0.7407	Intermediate Similarity	NPC229166
0.7399	Intermediate Similarity	NPC243996
0.7399	Intermediate Similarity	NPC132804
0.7399	Intermediate Similarity	NPC275061
0.7399	Intermediate Similarity	NPC220344
0.7396	Intermediate Similarity	NPC249405
0.7393	Intermediate Similarity	NPC122463
0.7379	Intermediate Similarity	NPC91234
0.7371	Intermediate Similarity	NPC175838
0.7358	Intermediate Similarity	NPC135772
0.7358	Intermediate Similarity	NPC156576
0.7356	Intermediate Similarity	NPC240684
0.7353	Intermediate Similarity	NPC90185
0.7348	Intermediate Similarity	NPC10730
0.7348	Intermediate Similarity	NPC10875
0.7344	Intermediate Similarity	NPC179704
0.7341	Intermediate Similarity	NPC266006
0.7341	Intermediate Similarity	NPC56329
0.7341	Intermediate Similarity	NPC242715
0.7341	Intermediate Similarity	NPC22902
0.7333	Intermediate Similarity	NPC186546
0.7333	Intermediate Similarity	NPC476576
0.7333	Intermediate Similarity	NPC127402
0.7322	Intermediate Similarity	NPC476572
0.7317	Intermediate Similarity	NPC85661
0.7317	Intermediate Similarity	NPC171882
0.7317	Intermediate Similarity	NPC121510
0.731	Intermediate Similarity	NPC302001
0.731	Intermediate Similarity	NPC478093
0.7308	Intermediate Similarity	NPC290227
0.7306	Intermediate Similarity	NPC248642
0.7303	Intermediate Similarity	NPC16436
0.7296	Intermediate Similarity	NPC82763
0.7287	Intermediate Similarity	NPC182257
0.7283	Intermediate Similarity	NPC30632
0.7283	Intermediate Similarity	NPC202846
0.7283	Intermediate Similarity	NPC143139
0.7282	Intermediate Similarity	NPC214116
0.7282	Intermediate Similarity	NPC57036
0.7277	Intermediate Similarity	NPC287588
0.7277	Intermediate Similarity	NPC66815
0.7273	Intermediate Similarity	NPC478091
0.7273	Intermediate Similarity	NPC473589
0.7273	Intermediate Similarity	NPC476573
0.7273	Intermediate Similarity	NPC30182
0.7273	Intermediate Similarity	NPC478092
0.7273	Intermediate Similarity	NPC183709
0.7273	Intermediate Similarity	NPC35627
0.7273	Intermediate Similarity	NPC81247
0.7268	Intermediate Similarity	NPC46679
0.7268	Intermediate Similarity	NPC207873
0.7268	Intermediate Similarity	NPC100573
0.7267	Intermediate Similarity	NPC160697
0.7263	Intermediate Similarity	NPC110374
0.7263	Intermediate Similarity	NPC289743
0.7258	Intermediate Similarity	NPC19555
0.7257	Intermediate Similarity	NPC295719
0.7257	Intermediate Similarity	NPC165026
0.7257	Intermediate Similarity	NPC34431
0.7257	Intermediate Similarity	NPC73505
0.7255	Intermediate Similarity	NPC261388
0.7254	Intermediate Similarity	NPC155442
0.7254	Intermediate Similarity	NPC476574
0.7254	Intermediate Similarity	NPC477561
0.7254	Intermediate Similarity	NPC312918
0.7251	Intermediate Similarity	NPC228843
0.723	Intermediate Similarity	NPC118121
0.7228	Intermediate Similarity	NPC471489
0.7225	Intermediate Similarity	NPC10314
0.7225	Intermediate Similarity	NPC200557
0.7225	Intermediate Similarity	NPC294884
0.7225	Intermediate Similarity	NPC69029
0.7225	Intermediate Similarity	NPC241241
0.7225	Intermediate Similarity	NPC108198
0.7225	Intermediate Similarity	NPC158142
0.7216	Intermediate Similarity	NPC313886
0.7216	Intermediate Similarity	NPC116284
0.7213	Intermediate Similarity	NPC99659
0.7213	Intermediate Similarity	NPC325871
0.7213	Intermediate Similarity	NPC107602
0.7204	Intermediate Similarity	NPC80759
0.7204	Intermediate Similarity	NPC204446
0.7204	Intermediate Similarity	NPC79402
0.7202	Intermediate Similarity	NPC126284
0.72	Intermediate Similarity	NPC212942
0.72	Intermediate Similarity	NPC29868
0.72	Intermediate Similarity	NPC234318
0.72	Intermediate Similarity	NPC79622
0.7191	Intermediate Similarity	NPC5462
0.7188	Intermediate Similarity	NPC1291
0.7188	Intermediate Similarity	NPC115343
0.7186	Intermediate Similarity	NPC85381
0.7182	Intermediate Similarity	NPC265473
0.7182	Intermediate Similarity	NPC276665
0.7181	Intermediate Similarity	NPC264850
0.7181	Intermediate Similarity	NPC90984
0.7181	Intermediate Similarity	NPC13916
0.7178	Intermediate Similarity	NPC25897
0.7174	Intermediate Similarity	NPC291359
0.7172	Intermediate Similarity	NPC318805
0.7172	Intermediate Similarity	NPC41122
0.7169	Intermediate Similarity	NPC473182
0.7168	Intermediate Similarity	NPC125649
0.7157	Intermediate Similarity	NPC275680
0.7157	Intermediate Similarity	NPC22115
0.7151	Intermediate Similarity	NPC205255
0.7151	Intermediate Similarity	NPC119649

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC294244 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	260
0.1-0.2	801
0.2-0.3	940
0.3-0.4	2180
0.4-0.5	2559
0.5-0.6	1979
0.6-0.7	426
0.7-0.8	16
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
0.7444	Intermediate Similarity	NPD3778	Approved
0.7389	Intermediate Similarity	NPD5617	Suspended
0.7366	Intermediate Similarity	NPD4606	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD4005	Discontinued
0.7151	Intermediate Similarity	NPD4055	Discovery
0.7107	Intermediate Similarity	NPD7906	Approved
0.7105	Intermediate Similarity	NPD6607	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD4675	Approved
0.7104	Intermediate Similarity	NPD4678	Approved
0.7098	Intermediate Similarity	NPD6996	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7053	Intermediate Similarity	NPD4083	Discontinued
0.705	Intermediate Similarity	NPD7125	Discontinued
0.702	Intermediate Similarity	NPD5800	Discontinued
0.7017	Intermediate Similarity	NPD4123	Phase 3
0.701	Intermediate Similarity	NPD6184	Discontinued
0.6995	Remote Similarity	NPD2883	Discontinued
0.699	Remote Similarity	NPD4577	Approved
0.699	Remote Similarity	NPD4578	Approved
0.6985	Remote Similarity	NPD2843	Phase 2
0.6985	Remote Similarity	NPD2845	Phase 2
0.6971	Remote Similarity	NPD7263	Phase 2
0.697	Remote Similarity	NPD4663	Approved
0.6957	Remote Similarity	NPD5811	Approved
0.6954	Remote Similarity	NPD8054	Approved
0.6954	Remote Similarity	NPD8053	Approved
0.6946	Remote Similarity	NPD4605	Approved
0.6946	Remote Similarity	NPD4604	Approved
0.6923	Remote Similarity	NPD8067	Phase 3
0.6897	Remote Similarity	NPD2674	Phase 3
0.6895	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD1850	Phase 3
0.6885	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD4951	Discontinued
0.6882	Remote Similarity	NPD980	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD3453	Discontinued
0.6878	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD2358	Clinical (unspecified phase)
0.6856	Remote Similarity	NPD7493	Clinical (unspecified phase)
0.685	Remote Similarity	NPD3398	Discontinued
0.6839	Remote Similarity	NPD2489	Approved
0.6839	Remote Similarity	NPD27	Approved
0.6837	Remote Similarity	NPD5164	Discontinued
0.6823	Remote Similarity	NPD3051	Approved
0.6818	Remote Similarity	NPD7310	Approved
0.6818	Remote Similarity	NPD7311	Approved
0.6818	Remote Similarity	NPD7312	Approved
0.6818	Remote Similarity	NPD7313	Approved
0.681	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD5788	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD2970	Approved
0.6788	Remote Similarity	NPD2969	Approved
0.6786	Remote Similarity	NPD3920	Phase 2
0.6784	Remote Similarity	NPD7309	Approved
0.678	Remote Similarity	NPD4097	Suspended
0.6776	Remote Similarity	NPD4357	Discontinued
0.6776	Remote Similarity	NPD2420	Approved
0.6776	Remote Similarity	NPD2421	Approved
0.6774	Remote Similarity	NPD3763	Approved
0.6766	Remote Similarity	NPD1898	Discontinued
0.6758	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD3144	Approved
0.6743	Remote Similarity	NPD3145	Approved
0.6738	Remote Similarity	NPD3296	Phase 1
0.6737	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD5917	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD3237	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD3236	Phase 3
0.6702	Remote Similarity	NPD2789	Approved
0.67	Remote Similarity	NPD5641	Discontinued
0.6697	Remote Similarity	NPD2899	Discontinued
0.6682	Remote Similarity	NPD4502	Phase 2
0.6667	Remote Similarity	NPD3812	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5241	Discontinued
0.6667	Remote Similarity	NPD3963	Phase 1
0.6651	Remote Similarity	NPD3452	Approved
0.6651	Remote Similarity	NPD7827	Phase 1
0.6651	Remote Similarity	NPD2494	Approved
0.6651	Remote Similarity	NPD2493	Approved
0.6651	Remote Similarity	NPD3450	Approved
0.665	Remote Similarity	NPD3408	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD6494	Phase 2
0.6634	Remote Similarity	NPD7262	Phase 1
0.6633	Remote Similarity	NPD5966	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD6746	Phase 2
0.6632	Remote Similarity	NPD6037	Discontinued
0.6631	Remote Similarity	NPD4003	Phase 3
0.6631	Remote Similarity	NPD950	Clinical (unspecified phase)
0.663	Remote Similarity	NPD1375	Discontinued
0.663	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD7479	Phase 2
0.6612	Remote Similarity	NPD6331	Phase 2
0.6612	Remote Similarity	NPD5819	Phase 2
0.6612	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.66	Remote Similarity	NPD8453	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD8251	Approved
0.6599	Remote Similarity	NPD8099	Discontinued
0.6599	Remote Similarity	NPD8252	Approved
0.6598	Remote Similarity	NPD2821	Approved
0.6597	Remote Similarity	NPD3557	Approved
0.6597	Remote Similarity	NPD5599	Discontinued
0.6597	Remote Similarity	NPD3558	Approved
0.6597	Remote Similarity	NPD3556	Approved
0.6597	Remote Similarity	NPD3559	Clinical (unspecified phase)
0.6597	Remote Similarity	NPD3560	Approved
0.6593	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD3027	Phase 3
0.6584	Remote Similarity	NPD6339	Approved
0.6584	Remote Similarity	NPD6340	Approved
0.6583	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD677	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD2898	Approved
0.6566	Remote Similarity	NPD8156	Discontinued
0.6566	Remote Similarity	NPD5810	Discontinued
0.6559	Remote Similarity	NPD4584	Approved
0.6557	Remote Similarity	NPD4583	Approved
0.6557	Remote Similarity	NPD4582	Approved
0.6548	Remote Similarity	NPD5938	Phase 3
0.6545	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD5929	Approved
0.6543	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.654	Remote Similarity	NPD3515	Approved
0.654	Remote Similarity	NPD3516	Approved
0.654	Remote Similarity	NPD5848	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD7034	Discontinued
0.6534	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD7831	Phase 2
0.6528	Remote Similarity	NPD7833	Phase 2
0.6527	Remote Similarity	NPD7169	Suspended
0.6526	Remote Similarity	NPD5089	Approved
0.6526	Remote Similarity	NPD3796	Clinical (unspecified phase)
0.6526	Remote Similarity	NPD5090	Approved
0.6524	Remote Similarity	NPD6612	Phase 2
0.652	Remote Similarity	NPD7243	Clinical (unspecified phase)
0.651	Remote Similarity	NPD6063	Approved
0.651	Remote Similarity	NPD2560	Approved
0.651	Remote Similarity	NPD2563	Approved
0.6509	Remote Similarity	NPD4004	Approved
0.6509	Remote Similarity	NPD4002	Approved
0.6505	Remote Similarity	NPD3923	Approved
0.6505	Remote Similarity	NPD3922	Approved
0.6505	Remote Similarity	NPD3921	Approved
0.6505	Remote Similarity	NPD3924	Approved
0.6491	Remote Similarity	NPD7922	Phase 1
0.6491	Remote Similarity	NPD6723	Discontinued
0.6488	Remote Similarity	NPD3342	Phase 2
0.6484	Remote Similarity	NPD7047	Phase 3
0.6484	Remote Similarity	NPD2161	Phase 2
0.6483	Remote Similarity	NPD8367	Approved
0.648	Remote Similarity	NPD1613	Approved
0.648	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.648	Remote Similarity	NPD6232	Discontinued
0.648	Remote Similarity	NPD1558	Phase 1
0.6477	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD6788	Approved
0.6474	Remote Similarity	NPD6502	Phase 2
0.6474	Remote Similarity	NPD3538	Suspended
0.6471	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6468	Remote Similarity	NPD6104	Discontinued
0.6459	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6459	Remote Similarity	NPD2973	Approved
0.6459	Remote Similarity	NPD2974	Approved
0.6459	Remote Similarity	NPD2975	Approved
0.6456	Remote Similarity	NPD2490	Approved
0.6456	Remote Similarity	NPD2488	Approved
0.6452	Remote Similarity	NPD5936	Approved
0.6452	Remote Similarity	NPD5939	Approved
0.645	Remote Similarity	NPD5557	Phase 1
0.6449	Remote Similarity	NPD5530	Phase 1
0.644	Remote Similarity	NPD6072	Discontinued
0.6439	Remote Similarity	NPD3349	Phase 2
0.6437	Remote Similarity	NPD1669	Approved
0.6436	Remote Similarity	NPD6090	Discontinued
0.6432	Remote Similarity	NPD3909	Discontinued
0.6429	Remote Similarity	NPD4986	Clinical (unspecified phase)
0.6421	Remote Similarity	NPD7261	Clinical (unspecified phase)
0.6418	Remote Similarity	NPD7007	Discovery
0.6417	Remote Similarity	NPD2752	Clinical (unspecified phase)
0.6414	Remote Similarity	NPD4481	Phase 3
0.6413	Remote Similarity	NPD7153	Discontinued
0.6411	Remote Similarity	NPD5582	Discontinued
0.6406	Remote Similarity	NPD5645	Phase 3
0.6404	Remote Similarity	NPD4625	Phase 3
0.6404	Remote Similarity	NPD5895	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD3301	Approved
0.6398	Remote Similarity	NPD3837	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD3692	Discontinued
0.6396	Remote Similarity	NPD6071	Discontinued
0.6396	Remote Similarity	NPD4010	Discontinued
0.6392	Remote Similarity	NPD7773	Phase 2
0.6384	Remote Similarity	NPD6997	Phase 2
0.6383	Remote Similarity	NPD1754	Clinical (unspecified phase)
0.6382	Remote Similarity	NPD7473	Discontinued
0.6381	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6381	Remote Similarity	NPD6527	Approved
0.6376	Remote Similarity	NPD4206	Approved
0.6375	Remote Similarity	NPD8492	Approved

Structure

NPC294244 OpenBabel07101718182D 24 27 0 0 0 0 0 0 0 0999 V2000 -3.6628 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 1.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3689 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 -0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -4.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 -1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 -3.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 16 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10358940
ChEMBL	CHEMBL519867
ZINC

Physicochemical Properties

Molecular Weight:	325.10
ALogP:	-0.6973
MLogP:	2.78
XLogP:	1.926
# Rotatable Bonds:	8
Polar Surface Area:	80.51
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	24

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