NPASS Natural Product

Natural Product: NPC472286

Natural Product ID:	NPC472286
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C17H21NO5
Standard InCHIKey:	BRXGBJMQZQFKJV-IAGOWNOFSA-N
Standard InCHI:	InChI=1S/C17H21NO5/c1-23-17(16(22)11-20)15-7-4-13(10-19)18(15)9-8-12-2-5-14(21)6-3-12/h2-7,10,16-17,20-22H,8-9,11H2,1H3/t16-,17-/m1/s1
Canonical SMILES:	OC[C@H]([C@@H](c1ccc(n1CCc1ccc(cc1)O)C=O)OC)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
NPO33301	jiangella gansuensis	Species	Jiangellaceae	Bacteria				PMID[25412141]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	30100	nM	21955940

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 NPC472286 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	231
0.1-0.2	1296
0.2-0.3	7035
0.3-0.4	5409
0.4-0.5	10661
0.5-0.6	4554
0.6-0.7	1506
0.7-0.8	191
0.8-0.85	3
0.85-0.9	0
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC472287
0.9615	High Similarity	NPC472284
0.9011	High Similarity	NPC241025
0.8115	Intermediate Similarity	NPC295158
0.8038	Intermediate Similarity	NPC54066
0.8	Intermediate Similarity	NPC146418
0.7895	Intermediate Similarity	NPC472285
0.7833	Intermediate Similarity	NPC317572
0.7718	Intermediate Similarity	NPC53344
0.7718	Intermediate Similarity	NPC321428
0.7642	Intermediate Similarity	NPC312645
0.7602	Intermediate Similarity	NPC207851
0.7583	Intermediate Similarity	NPC89508
0.7562	Intermediate Similarity	NPC230403
0.756	Intermediate Similarity	NPC325297
0.7537	Intermediate Similarity	NPC473814
0.7537	Intermediate Similarity	NPC78767
0.7534	Intermediate Similarity	NPC194740
0.7525	Intermediate Similarity	NPC93390
0.7513	Intermediate Similarity	NPC320394
0.75	Intermediate Similarity	NPC474183
0.7488	Intermediate Similarity	NPC315804
0.7488	Intermediate Similarity	NPC313804
0.7463	Intermediate Similarity	NPC123395
0.7462	Intermediate Similarity	NPC159125
0.7455	Intermediate Similarity	NPC15801
0.7455	Intermediate Similarity	NPC477589
0.7455	Intermediate Similarity	NPC477587
0.7454	Intermediate Similarity	NPC150239
0.7453	Intermediate Similarity	NPC264176
0.7429	Intermediate Similarity	NPC39679
0.7418	Intermediate Similarity	NPC236668
0.7406	Intermediate Similarity	NPC23294
0.7397	Intermediate Similarity	NPC179287
0.7393	Intermediate Similarity	NPC469589
0.7389	Intermediate Similarity	NPC477585
0.7389	Intermediate Similarity	NPC477590
0.7389	Intermediate Similarity	NPC192306
0.7389	Intermediate Similarity	NPC477586
0.7389	Intermediate Similarity	NPC477588
0.7383	Intermediate Similarity	NPC146976
0.7378	Intermediate Similarity	NPC184680
0.7362	Intermediate Similarity	NPC129897
0.7361	Intermediate Similarity	NPC247803
0.7361	Intermediate Similarity	NPC314270
0.7358	Intermediate Similarity	NPC303951
0.735	Intermediate Similarity	NPC194040
0.7345	Intermediate Similarity	NPC470785
0.7345	Intermediate Similarity	NPC470784
0.7315	Intermediate Similarity	NPC293151
0.7299	Intermediate Similarity	NPC244741
0.7299	Intermediate Similarity	NPC183777
0.7299	Intermediate Similarity	NPC249583
0.7289	Intermediate Similarity	NPC39370
0.7282	Intermediate Similarity	NPC74153
0.7277	Intermediate Similarity	NPC75544
0.7277	Intermediate Similarity	NPC473186
0.7273	Intermediate Similarity	NPC51388
0.7269	Intermediate Similarity	NPC3207
0.7264	Intermediate Similarity	NPC86834
0.7264	Intermediate Similarity	NPC210828
0.7256	Intermediate Similarity	NPC232225
0.7253	Intermediate Similarity	NPC473800
0.7248	Intermediate Similarity	NPC208084
0.7244	Intermediate Similarity	NPC172222
0.7243	Intermediate Similarity	NPC87413
0.7243	Intermediate Similarity	NPC294375
0.7243	Intermediate Similarity	NPC9894
0.724	Intermediate Similarity	NPC97746
0.7235	Intermediate Similarity	NPC246658
0.7222	Intermediate Similarity	NPC118228
0.722	Intermediate Similarity	NPC473821
0.7217	Intermediate Similarity	NPC283117
0.7217	Intermediate Similarity	NPC316224
0.7217	Intermediate Similarity	NPC270918
0.7215	Intermediate Similarity	NPC225279
0.7211	Intermediate Similarity	NPC116573
0.7205	Intermediate Similarity	NPC475844
0.7204	Intermediate Similarity	NPC210256
0.7204	Intermediate Similarity	NPC472259
0.7202	Intermediate Similarity	NPC303658
0.719	Intermediate Similarity	NPC57398
0.7181	Intermediate Similarity	NPC153769
0.7181	Intermediate Similarity	NPC284348
0.7179	Intermediate Similarity	NPC67401
0.717	Intermediate Similarity	NPC45190
0.7165	Intermediate Similarity	NPC41717
0.7163	Intermediate Similarity	NPC306376
0.7163	Intermediate Similarity	NPC187501
0.7163	Intermediate Similarity	NPC149708
0.7157	Intermediate Similarity	NPC144381
0.7156	Intermediate Similarity	NPC474701
0.7156	Intermediate Similarity	NPC165599
0.7155	Intermediate Similarity	NPC58209
0.7143	Intermediate Similarity	NPC274640
0.7143	Intermediate Similarity	NPC206186
0.7136	Intermediate Similarity	NPC174760
0.7136	Intermediate Similarity	NPC88008
0.713	Intermediate Similarity	NPC310211
0.713	Intermediate Similarity	NPC308137
0.7129	Intermediate Similarity	NPC280714
0.7128	Intermediate Similarity	NPC470894
0.7123	Intermediate Similarity	NPC184408
0.7121	Intermediate Similarity	NPC134586
0.7121	Intermediate Similarity	NPC194724
0.7117	Intermediate Similarity	NPC94842
0.7116	Intermediate Similarity	NPC124086
0.7104	Intermediate Similarity	NPC121069
0.7103	Intermediate Similarity	NPC171787
0.7101	Intermediate Similarity	NPC258048
0.71	Intermediate Similarity	NPC52831
0.71	Intermediate Similarity	NPC317010
0.71	Intermediate Similarity	NPC325705
0.7098	Intermediate Similarity	NPC186351
0.7097	Intermediate Similarity	NPC469592
0.7097	Intermediate Similarity	NPC471080
0.7093	Intermediate Similarity	NPC323752
0.7093	Intermediate Similarity	NPC220852
0.7091	Intermediate Similarity	NPC74360
0.7087	Intermediate Similarity	NPC471448
0.7087	Intermediate Similarity	NPC41501
0.7085	Intermediate Similarity	NPC473850
0.7085	Intermediate Similarity	NPC211997
0.7083	Intermediate Similarity	NPC220337
0.7075	Intermediate Similarity	NPC476098
0.7075	Intermediate Similarity	NPC134848
0.7072	Intermediate Similarity	NPC478141
0.7069	Intermediate Similarity	NPC15406
0.7069	Intermediate Similarity	NPC160100
0.7069	Intermediate Similarity	NPC188400
0.7067	Intermediate Similarity	NPC475362
0.7065	Intermediate Similarity	NPC113626
0.7064	Intermediate Similarity	NPC477979
0.7064	Intermediate Similarity	NPC50562
0.7064	Intermediate Similarity	NPC165964
0.7059	Intermediate Similarity	NPC318068
0.7059	Intermediate Similarity	NPC161292
0.7059	Intermediate Similarity	NPC14686
0.7059	Intermediate Similarity	NPC472099
0.7056	Intermediate Similarity	NPC4687
0.7056	Intermediate Similarity	NPC210296
0.7056	Intermediate Similarity	NPC316403
0.7054	Intermediate Similarity	NPC24370
0.7054	Intermediate Similarity	NPC473506
0.7054	Intermediate Similarity	NPC319232
0.7051	Intermediate Similarity	NPC472098
0.7051	Intermediate Similarity	NPC219087
0.7051	Intermediate Similarity	NPC12344
0.7048	Intermediate Similarity	NPC474767
0.7045	Intermediate Similarity	NPC469594
0.7045	Intermediate Similarity	NPC46561
0.704	Intermediate Similarity	NPC205372
0.704	Intermediate Similarity	NPC250807
0.704	Intermediate Similarity	NPC57797
0.7037	Intermediate Similarity	NPC269367
0.7035	Intermediate Similarity	NPC322135
0.7032	Intermediate Similarity	NPC67658
0.7032	Intermediate Similarity	NPC152768
0.7032	Intermediate Similarity	NPC322064
0.7032	Intermediate Similarity	NPC148183
0.7031	Intermediate Similarity	NPC57453
0.7028	Intermediate Similarity	NPC295898
0.7027	Intermediate Similarity	NPC198503
0.7024	Intermediate Similarity	NPC209917
0.7022	Intermediate Similarity	NPC122968
0.7022	Intermediate Similarity	NPC228377
0.7022	Intermediate Similarity	NPC261251
0.7022	Intermediate Similarity	NPC477787
0.7022	Intermediate Similarity	NPC146824
0.7022	Intermediate Similarity	NPC328186
0.7022	Intermediate Similarity	NPC244536
0.7021	Intermediate Similarity	NPC257142
0.7018	Intermediate Similarity	NPC151781
0.7018	Intermediate Similarity	NPC323198
0.7018	Intermediate Similarity	NPC316181
0.7018	Intermediate Similarity	NPC74562
0.7018	Intermediate Similarity	NPC237702
0.7014	Intermediate Similarity	NPC269270
0.7014	Intermediate Similarity	NPC298436
0.7014	Intermediate Similarity	NPC168209
0.7009	Intermediate Similarity	NPC313796
0.7009	Intermediate Similarity	NPC475498
0.7009	Intermediate Similarity	NPC315638
0.7009	Intermediate Similarity	NPC472111
0.7009	Intermediate Similarity	NPC317373
0.7009	Intermediate Similarity	NPC313345
0.7009	Intermediate Similarity	NPC314855
0.7009	Intermediate Similarity	NPC475137
0.7005	Intermediate Similarity	NPC56170
0.7004	Intermediate Similarity	NPC260434
0.7004	Intermediate Similarity	NPC473689
0.7004	Intermediate Similarity	NPC292416
0.7	Intermediate Similarity	NPC169402
0.7	Intermediate Similarity	NPC102008
0.7	Intermediate Similarity	NPC127085
0.7	Intermediate Similarity	NPC6786
0.7	Intermediate Similarity	NPC285343
0.6996	Remote Similarity	NPC144452
0.6996	Remote Similarity	NPC210434
0.6991	Remote Similarity	NPC470486

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472286 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	176
0.1-0.2	552
0.2-0.3	868
0.3-0.4	1186
0.4-0.5	2438
0.5-0.6	2949
0.6-0.7	915
0.7-0.8	76
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8049	Intermediate Similarity	NPD5866	Approved
0.7696	Intermediate Similarity	NPD4736	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD6716	Phase 1
0.7535	Intermediate Similarity	NPD7180	Phase 3
0.7512	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4898	Clinical (unspecified phase)
0.7489	Intermediate Similarity	NPD3259	Approved
0.7442	Intermediate Similarity	NPD5632	Approved
0.7432	Intermediate Similarity	NPD7031	Phase 1
0.7431	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD1631	Approved
0.7399	Intermediate Similarity	NPD4373	Phase 2
0.736	Intermediate Similarity	NPD1643	Phase 3
0.7358	Intermediate Similarity	NPD1575	Approved
0.7358	Intermediate Similarity	NPD1573	Approved
0.7357	Intermediate Similarity	NPD7417	Discontinued
0.7315	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD4667	Clinical (unspecified phase)
0.7269	Intermediate Similarity	NPD4394	Clinical (unspecified phase)
0.7265	Intermediate Similarity	NPD4952	Phase 3
0.7263	Intermediate Similarity	NPD1630	Approved
0.7252	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD6974	Phase 3
0.7243	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD6962	Phase 2
0.7227	Intermediate Similarity	NPD8356	Approved
0.7217	Intermediate Similarity	NPD7452	Approved
0.7217	Intermediate Similarity	NPD7453	Approved
0.7217	Intermediate Similarity	NPD7222	Phase 2
0.7207	Intermediate Similarity	NPD5640	Discontinued
0.7196	Intermediate Similarity	NPD3392	Approved
0.7196	Intermediate Similarity	NPD4900	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD7853	Phase 2
0.7175	Intermediate Similarity	NPD4328	Approved
0.717	Intermediate Similarity	NPD7001	Phase 3
0.7169	Intermediate Similarity	NPD3258	Approved
0.7162	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD3178	Discontinued
0.7143	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1638	Discovery
0.7136	Intermediate Similarity	NPD8304	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD8479	Phase 2
0.7129	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD1768	Approved
0.7123	Intermediate Similarity	NPD3947	Discontinued
0.7111	Intermediate Similarity	NPD5479	Discontinued
0.71	Intermediate Similarity	NPD9510	Approved
0.7098	Intermediate Similarity	NPD8430	Approved
0.7098	Intermediate Similarity	NPD7994	Phase 2
0.7097	Intermediate Similarity	NPD3945	Discontinued
0.708	Intermediate Similarity	NPD1867	Approved
0.7072	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD5512	Phase 3
0.7067	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD2383	Phase 1
0.705	Intermediate Similarity	NPD1587	Approved
0.7046	Intermediate Similarity	NPD8463	Approved
0.7045	Intermediate Similarity	NPD7395	Discontinued
0.7042	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD5022	Discontinued
0.7028	Intermediate Similarity	NPD2779	Approved
0.7026	Intermediate Similarity	NPD7022	Phase 2
0.7026	Intermediate Similarity	NPD6517	Phase 3
0.7022	Intermediate Similarity	NPD4086	Phase 1
0.7019	Intermediate Similarity	NPD4418	Discontinued
0.7009	Intermediate Similarity	NPD3003	Approved
0.7009	Intermediate Similarity	NPD4901	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD5416	Discontinued
0.7	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7777	Approved
0.7	Intermediate Similarity	NPD53	Approved
0.7	Intermediate Similarity	NPD7778	Approved
0.6996	Remote Similarity	NPD6209	Approved
0.6995	Remote Similarity	NPD1096	Discontinued
0.6992	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD3257	Approved
0.6986	Remote Similarity	NPD4897	Phase 2
0.6983	Remote Similarity	NPD6790	Phase 1
0.6979	Remote Similarity	NPD3328	Phase 2
0.6978	Remote Similarity	NPD3263	Phase 3
0.6977	Remote Similarity	NPD1392	Approved
0.6975	Remote Similarity	NPD5532	Phase 2
0.6959	Remote Similarity	NPD1166	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6376	Discontinued
0.6941	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD4602	Approved
0.6937	Remote Similarity	NPD6770	Approved
0.693	Remote Similarity	NPD1505	Phase 2
0.6927	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6926	Remote Similarity	NPD4368	Phase 2
0.6923	Remote Similarity	NPD5922	Phase 3
0.692	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.692	Remote Similarity	NPD5482	Discontinued
0.692	Remote Similarity	NPD6995	Phase 1
0.6916	Remote Similarity	NPD5513	Phase 2
0.6915	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD2951	Discontinued
0.6909	Remote Similarity	NPD5902	Approved
0.6909	Remote Similarity	NPD5903	Approved
0.69	Remote Similarity	NPD1586	Approved
0.6897	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD9363	Approved
0.6893	Remote Similarity	NPD9364	Phase 2
0.6893	Remote Similarity	NPD4948	Discontinued
0.6887	Remote Similarity	NPD2778	Approved
0.6886	Remote Similarity	NPD1659	Phase 1
0.6884	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD5612	Discontinued
0.6875	Remote Similarity	NPD7556	Discontinued
0.6872	Remote Similarity	NPD5003	Discontinued
0.6872	Remote Similarity	NPD1229	Phase 2
0.687	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD2916	Discontinued
0.686	Remote Similarity	NPD2792	Approved
0.6856	Remote Similarity	NPD7688	Phase 1
0.6854	Remote Similarity	NPD484	Approved
0.6851	Remote Similarity	NPD6495	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD3779	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD4989	Phase 2
0.6847	Remote Similarity	NPD6452	Discontinued
0.6845	Remote Similarity	NPD5256	Discontinued
0.6842	Remote Similarity	NPD6569	Phase 2
0.6837	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD6641	Approved
0.6832	Remote Similarity	NPD6642	Approved
0.683	Remote Similarity	NPD6242	Discontinued
0.6829	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD7426	Phase 1
0.6827	Remote Similarity	NPD5316	Approved
0.6827	Remote Similarity	NPD2565	Phase 2
0.6827	Remote Similarity	NPD2564	Approved
0.6818	Remote Similarity	NPD7069	Discontinued
0.6816	Remote Similarity	NPD4429	Discontinued
0.6816	Remote Similarity	NPD6985	Discontinued
0.6816	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7878	Phase 2
0.6814	Remote Similarity	NPD4203	Approved
0.6814	Remote Similarity	NPD4204	Approved
0.68	Remote Similarity	NPD5507	Approved
0.68	Remote Similarity	NPD5506	Approved
0.68	Remote Similarity	NPD4923	Phase 1
0.6798	Remote Similarity	NPD4845	Discontinued
0.6798	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD7886	Phase 2
0.6795	Remote Similarity	NPD7885	Phase 2
0.6787	Remote Similarity	NPD3795	Approved
0.6787	Remote Similarity	NPD3794	Approved
0.6784	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD7284	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD946	Discontinued
0.6777	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD4502	Phase 2
0.6771	Remote Similarity	NPD5443	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD5445	Approved
0.6763	Remote Similarity	NPD3315	Phase 3
0.6762	Remote Similarity	NPD3924	Approved
0.6762	Remote Similarity	NPD3923	Approved
0.6762	Remote Similarity	NPD3921	Approved
0.6762	Remote Similarity	NPD3922	Approved
0.6758	Remote Similarity	NPD4506	Discontinued
0.6757	Remote Similarity	NPD5293	Phase 2
0.6756	Remote Similarity	NPD5850	Phase 3
0.6754	Remote Similarity	NPD8289	Discontinued
0.6753	Remote Similarity	NPD4885	Approved
0.6752	Remote Similarity	NPD6825	Phase 1
0.6748	Remote Similarity	NPD6456	Discontinued
0.6743	Remote Similarity	NPD5429	Discontinued
0.6741	Remote Similarity	NPD3354	Phase 2
0.6741	Remote Similarity	NPD6568	Discontinued
0.6736	Remote Similarity	NPD8102	Discontinued
0.6732	Remote Similarity	NPD9362	Approved
0.6731	Remote Similarity	NPD6393	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD1034	Phase 3
0.6731	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD2176	Approved
0.6729	Remote Similarity	NPD2177	Approved
0.6729	Remote Similarity	NPD2175	Phase 3
0.6724	Remote Similarity	NPD7558	Phase 2
0.6722	Remote Similarity	NPD5857	Phase 3
0.6717	Remote Similarity	NPD861	Approved
0.6717	Remote Similarity	NPD862	Approved
0.6717	Remote Similarity	NPD863	Approved
0.6716	Remote Similarity	NPD3920	Phase 2
0.6712	Remote Similarity	NPD2509	Approved
0.6712	Remote Similarity	NPD7467	Discontinued
0.6712	Remote Similarity	NPD2510	Approved
0.6712	Remote Similarity	NPD3243	Approved
0.6711	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD3925	Approved

Structure

NPC472286 OpenBabel07101718322D 23 24 0 0 1 0 0 0 0 0999 V2000 2.2804 2.6720 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 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 -1.2024 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 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 -0.3364 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 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 -1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 1.7450 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 0.1045 -0.9945 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 0.9135 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 2.0540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1215 1.3849 0.0000 C 0 0 2 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 -0.4307 -2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 2.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 3.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 1.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 5 1 0 0 0 0 2 12 2 0 0 0 0 3 6 2 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 2 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 17 23 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3357675
ZINC

Physicochemical Properties

Molecular Weight:	319.14
ALogP:	-1.4339
MLogP:	2.67
XLogP:	1.31
# Rotatable Bonds:	12
Polar Surface Area:	91.92
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	23

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