NPASS Natural Product

Natural Product: NPC285361

Natural Product ID:	NPC285361
Common Name:	Methyl 4,4-Bis(6-((E)-3,4-Dihydroxystyryl)-4-Hydroxy-2-Oxo-2H-Pyran-3-Yl)Butanoate
IUPAC Name:	methyl 4,4-bis[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]butanoate
Synonyms:
Molecular Formula:	C31H26O12
Standard InCHIKey:	NSYGZAYOTRQSPG-YPCIICBESA-N
Standard InCHI:	InChI=1S/C31H26O12/c1-41-27(38)11-8-20(28-25(36)14-18(42-30(28)39)6-2-16-4-9-21(32)23(34)12-16)29-26(37)15-19(43-31(29)40)7-3-17-5-10-22(33)24(35)13-17/h2-7,9-10,12-15,20,32-37H,8,11H2,1H3/b6-2+,7-3+
Canonical SMILES:	COC(=O)CCC(c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O)c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)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
NPO19202	Phaeolus schweinitzii	Species	Hymenochaetaceae	Eukaryota	fruits	Tibetan Plateau, China		PMID[23869482]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1	Others	Radical scavenging activity		IC50	=	95300	nM	11809054

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 NPC285361 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	202
0.1-0.2	967
0.2-0.3	2052
0.3-0.4	5133
0.4-0.5	8401
0.5-0.6	2990
0.6-0.7	7128
0.7-0.8	3828
0.8-0.85	160
0.85-0.9	24
0.9-0.95	0
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9919	High Similarity	NPC64111
0.9837	High Similarity	NPC46192
0.9837	High Similarity	NPC167463
0.9758	High Similarity	NPC208536
0.8976	High Similarity	NPC67951
0.8976	High Similarity	NPC197832
0.8968	High Similarity	NPC306100
0.8906	High Similarity	NPC118584
0.8889	High Similarity	NPC191280
0.8846	High Similarity	NPC477300
0.8832	High Similarity	NPC285550
0.8824	High Similarity	NPC9218
0.8819	High Similarity	NPC285345
0.8768	High Similarity	NPC183824
0.8633	High Similarity	NPC470130
0.8623	High Similarity	NPC91546
0.8593	High Similarity	NPC311742
0.8582	High Similarity	NPC168799
0.8582	High Similarity	NPC155209
0.8551	High Similarity	NPC290664
0.8521	High Similarity	NPC1580
0.8519	High Similarity	NPC106406
0.8516	High Similarity	NPC147654
0.8516	High Similarity	NPC472271
0.8507	High Similarity	NPC5419
0.8507	High Similarity	NPC25581
0.8507	High Similarity	NPC18074
0.8507	High Similarity	NPC61
0.8462	Intermediate Similarity	NPC288945
0.8462	Intermediate Similarity	NPC85565
0.8456	Intermediate Similarity	NPC477301
0.8455	Intermediate Similarity	NPC131530
0.8438	Intermediate Similarity	NPC470848
0.8438	Intermediate Similarity	NPC470849
0.8433	Intermediate Similarity	NPC198388
0.8425	Intermediate Similarity	NPC263386
0.8425	Intermediate Similarity	NPC241634
0.8425	Intermediate Similarity	NPC141791
0.84	Intermediate Similarity	NPC474967
0.8392	Intermediate Similarity	NPC17042
0.8392	Intermediate Similarity	NPC155910
0.8385	Intermediate Similarity	NPC212541
0.8357	Intermediate Similarity	NPC296643
0.8346	Intermediate Similarity	NPC275519
0.8345	Intermediate Similarity	NPC288452
0.8345	Intermediate Similarity	NPC289690
0.8333	Intermediate Similarity	NPC276014
0.8333	Intermediate Similarity	NPC281277
0.8321	Intermediate Similarity	NPC246704
0.8321	Intermediate Similarity	NPC476870
0.832	Intermediate Similarity	NPC261453
0.832	Intermediate Similarity	NPC328593
0.832	Intermediate Similarity	NPC33749
0.8298	Intermediate Similarity	NPC472016
0.8298	Intermediate Similarity	NPC258469
0.8298	Intermediate Similarity	NPC192831
0.8298	Intermediate Similarity	NPC277315
0.8298	Intermediate Similarity	NPC43158
0.8296	Intermediate Similarity	NPC318799
0.8288	Intermediate Similarity	NPC270268
0.8286	Intermediate Similarity	NPC477279
0.8284	Intermediate Similarity	NPC94810
0.8264	Intermediate Similarity	NPC23677
0.8261	Intermediate Similarity	NPC156307
0.8261	Intermediate Similarity	NPC90431
0.8258	Intermediate Similarity	NPC289459
0.8254	Intermediate Similarity	NPC233669
0.8248	Intermediate Similarity	NPC248150
0.824	Intermediate Similarity	NPC95381
0.8227	Intermediate Similarity	NPC35702
0.8227	Intermediate Similarity	NPC206095
0.8227	Intermediate Similarity	NPC13818
0.8227	Intermediate Similarity	NPC224389
0.8227	Intermediate Similarity	NPC477277
0.8227	Intermediate Similarity	NPC297517
0.8227	Intermediate Similarity	NPC477335
0.8227	Intermediate Similarity	NPC471027
0.8227	Intermediate Similarity	NPC477278
0.8226	Intermediate Similarity	NPC226250
0.8217	Intermediate Similarity	NPC2058
0.8214	Intermediate Similarity	NPC476819
0.8214	Intermediate Similarity	NPC474875
0.8214	Intermediate Similarity	NPC205751
0.8214	Intermediate Similarity	NPC476820
0.8214	Intermediate Similarity	NPC303683
0.8214	Intermediate Similarity	NPC295492
0.8214	Intermediate Similarity	NPC274891
0.8214	Intermediate Similarity	NPC26241
0.8203	Intermediate Similarity	NPC309434
0.8203	Intermediate Similarity	NPC203124
0.8201	Intermediate Similarity	NPC471152
0.8195	Intermediate Similarity	NPC213552
0.8195	Intermediate Similarity	NPC84076
0.8195	Intermediate Similarity	NPC120225
0.8195	Intermediate Similarity	NPC90128
0.8195	Intermediate Similarity	NPC303680
0.8182	Intermediate Similarity	NPC477333
0.8175	Intermediate Similarity	NPC471749
0.8169	Intermediate Similarity	NPC37331
0.8169	Intermediate Similarity	NPC319628
0.8169	Intermediate Similarity	NPC220664
0.8169	Intermediate Similarity	NPC303090
0.8169	Intermediate Similarity	NPC284948
0.8156	Intermediate Similarity	NPC38473
0.8156	Intermediate Similarity	NPC326065
0.8154	Intermediate Similarity	NPC158949
0.8151	Intermediate Similarity	NPC69367
0.8148	Intermediate Similarity	NPC241354
0.8148	Intermediate Similarity	NPC83062
0.8148	Intermediate Similarity	NPC226855
0.8143	Intermediate Similarity	NPC219428
0.8143	Intermediate Similarity	NPC37250
0.8143	Intermediate Similarity	NPC284409
0.8143	Intermediate Similarity	NPC302857
0.8143	Intermediate Similarity	NPC142703
0.8143	Intermediate Similarity	NPC152942
0.8143	Intermediate Similarity	NPC278068
0.814	Intermediate Similarity	NPC70084
0.8134	Intermediate Similarity	NPC151167
0.8134	Intermediate Similarity	NPC276466
0.8134	Intermediate Similarity	NPC123722
0.8134	Intermediate Similarity	NPC123228
0.8134	Intermediate Similarity	NPC158654
0.8134	Intermediate Similarity	NPC5018
0.8125	Intermediate Similarity	NPC175799
0.8125	Intermediate Similarity	NPC610
0.8125	Intermediate Similarity	NPC145023
0.8125	Intermediate Similarity	NPC200988
0.812	Intermediate Similarity	NPC280767
0.8116	Intermediate Similarity	NPC4982
0.8116	Intermediate Similarity	NPC68779
0.8116	Intermediate Similarity	NPC5310
0.8116	Intermediate Similarity	NPC176814
0.8116	Intermediate Similarity	NPC300776
0.8116	Intermediate Similarity	NPC135127
0.8112	Intermediate Similarity	NPC160378
0.8106	Intermediate Similarity	NPC18984
0.8106	Intermediate Similarity	NPC229084
0.8106	Intermediate Similarity	NPC106659
0.8106	Intermediate Similarity	NPC160900
0.8095	Intermediate Similarity	NPC243891
0.8095	Intermediate Similarity	NPC148969
0.8092	Intermediate Similarity	NPC70752
0.8088	Intermediate Similarity	NPC329344
0.8088	Intermediate Similarity	NPC32626
0.8088	Intermediate Similarity	NPC237506
0.8088	Intermediate Similarity	NPC217052
0.8074	Intermediate Similarity	NPC110313
0.8069	Intermediate Similarity	NPC322660
0.8062	Intermediate Similarity	NPC86198
0.806	Intermediate Similarity	NPC179777
0.8058	Intermediate Similarity	NPC113295
0.8056	Intermediate Similarity	NPC53520
0.8047	Intermediate Similarity	NPC277394
0.8047	Intermediate Similarity	NPC61062
0.8047	Intermediate Similarity	NPC299252
0.8043	Intermediate Similarity	NPC475468
0.8041	Intermediate Similarity	NPC267091
0.8031	Intermediate Similarity	NPC217472
0.8027	Intermediate Similarity	NPC32197
0.8016	Intermediate Similarity	NPC51698
0.8015	Intermediate Similarity	NPC304622
0.8015	Intermediate Similarity	NPC60962
0.8015	Intermediate Similarity	NPC224814
0.8015	Intermediate Similarity	NPC189844
0.8015	Intermediate Similarity	NPC14007
0.8015	Intermediate Similarity	NPC109083
0.8015	Intermediate Similarity	NPC204466
0.8015	Intermediate Similarity	NPC269843
0.8014	Intermediate Similarity	NPC64141
0.8014	Intermediate Similarity	NPC471076
0.8014	Intermediate Similarity	NPC476383
0.8014	Intermediate Similarity	NPC472350
0.8014	Intermediate Similarity	NPC98009
0.8014	Intermediate Similarity	NPC68092
0.8014	Intermediate Similarity	NPC81515
0.8014	Intermediate Similarity	NPC197316
0.8014	Intermediate Similarity	NPC472969
0.8014	Intermediate Similarity	NPC192568
0.8014	Intermediate Similarity	NPC89105
0.8	Intermediate Similarity	NPC120852
0.8	Intermediate Similarity	NPC98356
0.8	Intermediate Similarity	NPC109371
0.8	Intermediate Similarity	NPC281020
0.8	Intermediate Similarity	NPC471283
0.8	Intermediate Similarity	NPC287275
0.8	Intermediate Similarity	NPC470214
0.8	Intermediate Similarity	NPC470215
0.7986	Intermediate Similarity	NPC34293
0.7986	Intermediate Similarity	NPC474895
0.7986	Intermediate Similarity	NPC111635
0.7986	Intermediate Similarity	NPC190587
0.7986	Intermediate Similarity	NPC287597
0.7986	Intermediate Similarity	NPC121573
0.7986	Intermediate Similarity	NPC226738
0.7986	Intermediate Similarity	NPC886
0.7986	Intermediate Similarity	NPC22176
0.7985	Intermediate Similarity	NPC53305
0.7985	Intermediate Similarity	NPC257589
0.7984	Intermediate Similarity	NPC65791

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC285361 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	208
0.1-0.2	761
0.2-0.3	1381
0.3-0.4	2544
0.4-0.5	2252
0.5-0.6	1372
0.6-0.7	546
0.7-0.8	94
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8169	Intermediate Similarity	NPD6190	Approved
0.8106	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD7266	Discontinued
0.7972	Intermediate Similarity	NPD8166	Discontinued
0.7808	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD230	Phase 1
0.7778	Intermediate Similarity	NPD3225	Approved
0.7638	Intermediate Similarity	NPD3022	Approved
0.7638	Intermediate Similarity	NPD3021	Approved
0.7597	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD5536	Phase 2
0.7519	Intermediate Similarity	NPD9545	Approved
0.7482	Intermediate Similarity	NPD9494	Approved
0.7468	Intermediate Similarity	NPD2801	Approved
0.745	Intermediate Similarity	NPD1511	Approved
0.7447	Intermediate Similarity	NPD3268	Approved
0.7423	Intermediate Similarity	NPD7685	Pre-registration
0.7419	Intermediate Similarity	NPD3817	Phase 2
0.7372	Intermediate Similarity	NPD1608	Approved
0.7365	Intermediate Similarity	NPD4628	Phase 3
0.7355	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD1512	Approved
0.7338	Intermediate Similarity	NPD2797	Approved
0.7324	Intermediate Similarity	NPD3764	Approved
0.732	Intermediate Similarity	NPD3455	Phase 2
0.7297	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD1934	Approved
0.7278	Intermediate Similarity	NPD6234	Discontinued
0.7254	Intermediate Similarity	NPD3027	Phase 3
0.7254	Intermediate Similarity	NPD7095	Approved
0.7252	Intermediate Similarity	NPD228	Approved
0.7246	Intermediate Similarity	NPD9269	Phase 2
0.7239	Intermediate Similarity	NPD7054	Approved
0.723	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD4060	Phase 1
0.7222	Intermediate Similarity	NPD825	Approved
0.7222	Intermediate Similarity	NPD826	Approved
0.7211	Intermediate Similarity	NPD2935	Discontinued
0.7203	Intermediate Similarity	NPD6798	Discontinued
0.7203	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD7472	Approved
0.719	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD6355	Discontinued
0.7169	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6166	Phase 2
0.716	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD6233	Phase 2
0.7153	Intermediate Similarity	NPD17	Approved
0.7153	Intermediate Similarity	NPD1778	Approved
0.7152	Intermediate Similarity	NPD6797	Phase 2
0.7152	Intermediate Similarity	NPD3882	Suspended
0.7143	Intermediate Similarity	NPD6232	Discontinued
0.7143	Intermediate Similarity	NPD5283	Phase 1
0.7143	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1653	Approved
0.7143	Intermediate Similarity	NPD1283	Approved
0.7134	Intermediate Similarity	NPD1465	Phase 2
0.7133	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD3750	Approved
0.7133	Intermediate Similarity	NPD4110	Phase 3
0.7132	Intermediate Similarity	NPD3134	Approved
0.7117	Intermediate Similarity	NPD7473	Discontinued
0.7113	Intermediate Similarity	NPD5736	Approved
0.7109	Intermediate Similarity	NPD5909	Discontinued
0.7108	Intermediate Similarity	NPD7251	Discontinued
0.7103	Intermediate Similarity	NPD943	Approved
0.7101	Intermediate Similarity	NPD3847	Discontinued
0.7092	Intermediate Similarity	NPD3267	Approved
0.7092	Intermediate Similarity	NPD3266	Approved
0.7091	Intermediate Similarity	NPD7074	Phase 3
0.7081	Intermediate Similarity	NPD7199	Phase 2
0.708	Intermediate Similarity	NPD5585	Approved
0.7077	Intermediate Similarity	NPD1358	Approved
0.7073	Intermediate Similarity	NPD3818	Discontinued
0.7073	Intermediate Similarity	NPD7228	Approved
0.707	Intermediate Similarity	NPD37	Approved
0.7063	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD4340	Discontinued
0.7055	Intermediate Similarity	NPD555	Phase 2
0.7051	Intermediate Similarity	NPD4380	Phase 2
0.705	Intermediate Similarity	NPD1535	Discovery
0.7048	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD4967	Phase 2
0.7044	Intermediate Similarity	NPD4965	Approved
0.7044	Intermediate Similarity	NPD4966	Approved
0.7042	Intermediate Similarity	NPD258	Approved
0.7042	Intermediate Similarity	NPD257	Approved
0.7034	Intermediate Similarity	NPD6663	Approved
0.7034	Intermediate Similarity	NPD259	Phase 1
0.7034	Intermediate Similarity	NPD4062	Phase 3
0.7027	Intermediate Similarity	NPD7033	Discontinued
0.7007	Intermediate Similarity	NPD1894	Discontinued
0.7006	Intermediate Similarity	NPD7411	Suspended
0.7	Intermediate Similarity	NPD1481	Phase 2
0.7	Intermediate Similarity	NPD7075	Discontinued
0.6994	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD1613	Approved
0.6981	Remote Similarity	NPD5402	Approved
0.6975	Remote Similarity	NPD8127	Discontinued
0.6968	Remote Similarity	NPD5403	Approved
0.6964	Remote Similarity	NPD7808	Phase 3
0.6957	Remote Similarity	NPD9268	Approved
0.695	Remote Similarity	NPD2982	Phase 2
0.695	Remote Similarity	NPD2983	Phase 2
0.6948	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.694	Remote Similarity	NPD5535	Approved
0.6939	Remote Similarity	NPD447	Suspended
0.6929	Remote Similarity	NPD422	Phase 1
0.6929	Remote Similarity	NPD1281	Approved
0.6929	Remote Similarity	NPD3020	Approved
0.6928	Remote Similarity	NPD5844	Phase 1
0.6919	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD7819	Suspended
0.6913	Remote Similarity	NPD2799	Discontinued
0.6913	Remote Similarity	NPD1510	Phase 2
0.6908	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD7003	Approved
0.6906	Remote Similarity	NPD3019	Approved
0.6906	Remote Similarity	NPD2932	Approved
0.6906	Remote Similarity	NPD4626	Approved
0.6903	Remote Similarity	NPD6273	Approved
0.6899	Remote Similarity	NPD6385	Approved
0.6899	Remote Similarity	NPD6386	Approved
0.6894	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD4357	Discontinued
0.6883	Remote Similarity	NPD6799	Approved
0.688	Remote Similarity	NPD2933	Approved
0.688	Remote Similarity	NPD2934	Approved
0.6879	Remote Similarity	NPD2981	Phase 2
0.6879	Remote Similarity	NPD7458	Discontinued
0.6879	Remote Similarity	NPD3226	Approved
0.6875	Remote Similarity	NPD9569	Approved
0.6875	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD2979	Phase 3
0.6867	Remote Similarity	NPD2438	Suspended
0.6861	Remote Similarity	NPD9493	Approved
0.6857	Remote Similarity	NPD3496	Discontinued
0.6855	Remote Similarity	NPD6801	Discontinued
0.6853	Remote Similarity	NPD1203	Approved
0.6846	Remote Similarity	NPD7097	Phase 1
0.6839	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD5401	Approved
0.6835	Remote Similarity	NPD7028	Phase 2
0.6831	Remote Similarity	NPD4359	Approved
0.6828	Remote Similarity	NPD2614	Approved
0.6828	Remote Similarity	NPD4908	Phase 1
0.6825	Remote Similarity	NPD2859	Approved
0.6825	Remote Similarity	NPD2860	Approved
0.6824	Remote Similarity	NPD5124	Phase 1
0.6824	Remote Similarity	NPD1933	Approved
0.6824	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD2798	Approved
0.68	Remote Similarity	NPD4308	Phase 3
0.68	Remote Similarity	NPD3748	Approved
0.6779	Remote Similarity	NPD6653	Approved
0.6759	Remote Similarity	NPD3018	Phase 2
0.6759	Remote Similarity	NPD2861	Phase 2
0.6757	Remote Similarity	NPD1558	Phase 1
0.6757	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD3620	Phase 2
0.6757	Remote Similarity	NPD1240	Approved
0.6755	Remote Similarity	NPD5408	Approved
0.6755	Remote Similarity	NPD5406	Approved
0.6755	Remote Similarity	NPD5404	Approved
0.6755	Remote Similarity	NPD5405	Approved
0.6755	Remote Similarity	NPD1551	Phase 2
0.6747	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD1242	Phase 1
0.6735	Remote Similarity	NPD2313	Discontinued
0.6735	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD7768	Phase 2
0.6715	Remote Similarity	NPD2629	Approved
0.6714	Remote Similarity	NPD1651	Approved
0.6714	Remote Similarity	NPD1357	Approved
0.6714	Remote Similarity	NPD5691	Approved
0.6713	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD6832	Phase 2
0.6711	Remote Similarity	NPD275	Approved
0.6711	Remote Similarity	NPD274	Approved
0.6711	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.669	Remote Similarity	NPD5647	Approved
0.6689	Remote Similarity	NPD8032	Phase 2
0.6667	Remote Similarity	NPD4534	Discontinued
0.6667	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1607	Approved
0.6667	Remote Similarity	NPD1549	Phase 2
0.6667	Remote Similarity	NPD9536	Phase 1
0.6667	Remote Similarity	NPD9537	Phase 1
0.6667	Remote Similarity	NPD5958	Discontinued
0.6645	Remote Similarity	NPD2531	Phase 2
0.6645	Remote Similarity	NPD2354	Approved

Structure

NPC285361 OpenBabel07101718322D 43 46 0 0 1 0 0 0 0 0999 V2000 0.0000 5.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9332 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7808 -2.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -2.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9332 -0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 2.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6284 -3.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -2.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 3.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6284 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7808 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0856 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 1.9574 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4760 -2.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -2.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 4.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3236 -3.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -2.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3236 -1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5428 -0.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 4.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 2.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0856 0.9787 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 41 1 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 7 2 0 0 0 0 3 17 1 0 0 0 0 4 9 2 0 0 0 0 4 16 1 0 0 0 0 5 10 2 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 25 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 28 2 0 0 0 0 25 36 1 0 0 0 0 26 29 2 0 0 0 0 26 37 1 0 0 0 0 27 38 2 0 0 0 0 27 41 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 39 2 0 0 0 0 30 42 1 0 0 0 0 31 40 2 0 0 0 0 31 43 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	72192262
ChEMBL	CHEMBL2408936
ZINC

Physicochemical Properties

Molecular Weight:	590.14
ALogP:	-1.4569
MLogP:	3.55
XLogP:	3.241
# Rotatable Bonds:	17
Polar Surface Area:	200.28
# H-Bond Aceptor:	8
# H-Bond Donor:	6
# Rings:	4
# Heavy Atoms:	43

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