NPASS Natural Product

Natural Product: NPC471183

Natural Product ID:	NPC471183
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C27H38O7
Standard InCHIKey:	OSQUHJLUBNYFKD-PBPSECFOSA-N
Standard InCHI:	InChI=1S/C27H38O7/c1-14(2)13-34-23-16(4)15(3)10-17-11-20(29-5)25(31-7)26(32-8)21(17)22-18(23)12-19(28)24(30-6)27(22)33-9/h11-12,14-16,23,28H,10,13H2,1-9H3/t15-,16-,23+/m0/s1
Canonical SMILES:	COc1c(OC)c(O)cc2c1c1c(C[C@@H]([C@@H]([C@H]2OCC(C)C)C)C)cc(c(c1OC)OC)OC
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
NPO29191	Schisandra neglecta	Species	Schisandraceae	Eukaryota	Stems	Luoji Mountain Village, Xichang County, Sicuan Province, China	2011-SEP	PMID[23738539]

Biological Activity

Activity Type	# Activity
EC50	1
IC50	5
Others	2

Activity Type	# Activity
Cell Line	5
Organism	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	>	10000	nM	25782063
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	3500	nM	11754615
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	10000	nM	22694270
NPT2678	Cell Line	NB-4	Homo sapiens	IC50	>	10000	nM	20045651
NPT2	Others	Unspecified		IC50	>	10000	nM	21872367
NPT2	Others	Unspecified		Ratio CC50/EC50	>	58		18494522
NPT306	Cell Line	PC-3	Homo sapiens	IC50	>	10000	nM	24960143
NPT1452	Cell Line	C8166	Homo sapiens	CC50	>	200000	nM	25918997

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 NPC471183 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	304
0.1-0.2	1130
0.2-0.3	2578
0.3-0.4	6545
0.4-0.5	6863
0.5-0.6	2494
0.6-0.7	4839
0.7-0.8	4752
0.8-0.85	733
0.85-0.9	518
0.9-0.95	114
0.95-1	19

Similarity Score	Similarity Level	Natural Product ID
0.9847	High Similarity	NPC133025
0.9773	High Similarity	NPC301765
0.9773	High Similarity	NPC46277
0.9773	High Similarity	NPC156948
0.9773	High Similarity	NPC3072
0.9773	High Similarity	NPC86605
0.9704	High Similarity	NPC469630
0.9695	High Similarity	NPC206737
0.9695	High Similarity	NPC469659
0.9695	High Similarity	NPC188378
0.9695	High Similarity	NPC276026
0.9695	High Similarity	NPC289258
0.9695	High Similarity	NPC7515
0.9695	High Similarity	NPC56764
0.9695	High Similarity	NPC555
0.9621	High Similarity	NPC180602
0.9621	High Similarity	NPC240279
0.9621	High Similarity	NPC214853
0.9621	High Similarity	NPC55239
0.9493	High Similarity	NPC474054
0.9489	High Similarity	NPC87883
0.9466	High Similarity	NPC184928
0.9466	High Similarity	NPC141493
0.9394	High Similarity	NPC102256
0.9348	High Similarity	NPC121661
0.9348	High Similarity	NPC73467
0.9291	High Similarity	NPC474347
0.9291	High Similarity	NPC474393
0.9281	High Similarity	NPC197352
0.9281	High Similarity	NPC166506
0.9281	High Similarity	NPC110763
0.9281	High Similarity	NPC189239
0.9248	High Similarity	NPC204215
0.9248	High Similarity	NPC175067
0.9242	High Similarity	NPC126836
0.9237	High Similarity	NPC149008
0.9237	High Similarity	NPC207702
0.9237	High Similarity	NPC283114
0.9225	High Similarity	NPC470916
0.9214	High Similarity	NPC154971
0.9214	High Similarity	NPC252286
0.9203	High Similarity	NPC184641
0.9203	High Similarity	NPC184684
0.9203	High Similarity	NPC133934
0.9203	High Similarity	NPC470917
0.9185	High Similarity	NPC256262
0.9179	High Similarity	NPC32778
0.9179	High Similarity	NPC158331
0.9173	High Similarity	NPC474017
0.9124	High Similarity	NPC184613
0.9124	High Similarity	NPC6300
0.9124	High Similarity	NPC114171
0.9124	High Similarity	NPC230124
0.9118	High Similarity	NPC162659
0.9118	High Similarity	NPC202846
0.9118	High Similarity	NPC143139
0.9118	High Similarity	NPC270456
0.9118	High Similarity	NPC265433
0.9118	High Similarity	NPC248727
0.9118	High Similarity	NPC234952
0.9111	High Similarity	NPC209199
0.9111	High Similarity	NPC326095
0.9111	High Similarity	NPC244983
0.9111	High Similarity	NPC125649
0.9111	High Similarity	NPC287745
0.9104	High Similarity	NPC6451
0.9097	High Similarity	NPC471154
0.9091	High Similarity	NPC154866
0.9084	High Similarity	NPC76451
0.9071	High Similarity	NPC50250
0.9071	High Similarity	NPC473108
0.9065	High Similarity	NPC229172
0.9065	High Similarity	NPC230538
0.9065	High Similarity	NPC36531
0.9065	High Similarity	NPC103637
0.9058	High Similarity	NPC254759
0.9058	High Similarity	NPC160283
0.9058	High Similarity	NPC109240
0.9058	High Similarity	NPC309124
0.9058	High Similarity	NPC184797
0.9051	High Similarity	NPC865
0.9044	High Similarity	NPC47398
0.9044	High Similarity	NPC126409
0.9044	High Similarity	NPC165155
0.9044	High Similarity	NPC470356
0.9044	High Similarity	NPC94750
0.9044	High Similarity	NPC474206
0.9044	High Similarity	NPC200557
0.9044	High Similarity	NPC24490
0.9044	High Similarity	NPC112246
0.9044	High Similarity	NPC121812
0.9044	High Similarity	NPC260898
0.9044	High Similarity	NPC108198
0.9044	High Similarity	NPC294884
0.9044	High Similarity	NPC158142
0.9044	High Similarity	NPC69029
0.9044	High Similarity	NPC141765
0.9044	High Similarity	NPC99572
0.9044	High Similarity	NPC234333
0.9044	High Similarity	NPC34103
0.9044	High Similarity	NPC313081
0.9044	High Similarity	NPC112939
0.9044	High Similarity	NPC10314
0.9037	High Similarity	NPC475840
0.9034	High Similarity	NPC475141
0.9034	High Similarity	NPC149735
0.9034	High Similarity	NPC474606
0.903	High Similarity	NPC474356
0.903	High Similarity	NPC470095
0.903	High Similarity	NPC45715
0.903	High Similarity	NPC470096
0.903	High Similarity	NPC12275
0.903	High Similarity	NPC232275
0.903	High Similarity	NPC309787
0.903	High Similarity	NPC15543
0.9028	High Similarity	NPC475756
0.9023	High Similarity	NPC476968
0.9023	High Similarity	NPC212015
0.9023	High Similarity	NPC170844
0.9015	High Similarity	NPC159968
0.9015	High Similarity	NPC324112
0.9015	High Similarity	NPC236791
0.9015	High Similarity	NPC127587
0.9015	High Similarity	NPC74817
0.9015	High Similarity	NPC82679
0.9015	High Similarity	NPC266555
0.9015	High Similarity	NPC169474
0.9015	High Similarity	NPC293054
0.9015	High Similarity	NPC246620
0.9015	High Similarity	NPC282000
0.9015	High Similarity	NPC124452
0.9014	High Similarity	NPC295297
0.9	High Similarity	NPC324962
0.8993	High Similarity	NPC247291
0.8993	High Similarity	NPC311530
0.8993	High Similarity	NPC263261
0.8993	High Similarity	NPC471389
0.8993	High Similarity	NPC87725
0.8986	High Similarity	NPC79622
0.8986	High Similarity	NPC292882
0.8986	High Similarity	NPC245207
0.8986	High Similarity	NPC29868
0.8986	High Similarity	NPC212942
0.8986	High Similarity	NPC473739
0.8986	High Similarity	NPC236306
0.8986	High Similarity	NPC127218
0.8986	High Similarity	NPC260741
0.8986	High Similarity	NPC32630
0.8986	High Similarity	NPC70682
0.8986	High Similarity	NPC319647
0.8986	High Similarity	NPC25966
0.8986	High Similarity	NPC232164
0.8978	High Similarity	NPC472334
0.8978	High Similarity	NPC472336
0.8978	High Similarity	NPC227503
0.8978	High Similarity	NPC306441
0.8978	High Similarity	NPC16435
0.8978	High Similarity	NPC230734
0.8978	High Similarity	NPC474639
0.8973	High Similarity	NPC473736
0.8971	High Similarity	NPC160697
0.8971	High Similarity	NPC317380
0.8963	High Similarity	NPC161958
0.8963	High Similarity	NPC470752
0.8963	High Similarity	NPC127624
0.8963	High Similarity	NPC475856
0.8963	High Similarity	NPC14224
0.8963	High Similarity	NPC201587
0.8963	High Similarity	NPC253105
0.8955	High Similarity	NPC299221
0.8955	High Similarity	NPC234488
0.8955	High Similarity	NPC311680
0.8955	High Similarity	NPC51840
0.8955	High Similarity	NPC192687
0.8955	High Similarity	NPC224157
0.8951	High Similarity	NPC477879
0.8947	High Similarity	NPC28765
0.8947	High Similarity	NPC470213
0.8947	High Similarity	NPC206615
0.8947	High Similarity	NPC98631
0.8947	High Similarity	NPC186843
0.8939	High Similarity	NPC18924
0.8939	High Similarity	NPC28730
0.8939	High Similarity	NPC44748
0.8939	High Similarity	NPC78974
0.8939	High Similarity	NPC223953
0.8939	High Similarity	NPC223136
0.8939	High Similarity	NPC214406
0.8939	High Similarity	NPC103823
0.8936	High Similarity	NPC63879
0.8936	High Similarity	NPC239254
0.8936	High Similarity	NPC172171
0.8929	High Similarity	NPC107161
0.8929	High Similarity	NPC41782
0.8921	High Similarity	NPC12668
0.8921	High Similarity	NPC308768
0.8921	High Similarity	NPC259519
0.8921	High Similarity	NPC266197
0.8921	High Similarity	NPC291101
0.8921	High Similarity	NPC266650

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471183 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	296
0.1-0.2	861
0.2-0.3	1735
0.3-0.4	2731
0.4-0.5	1742
0.5-0.6	980
0.6-0.7	650
0.7-0.8	157
0.8-0.85	4
0.85-0.9	4
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9023	High Similarity	NPD3027	Phase 3
0.8686	High Similarity	NPD1613	Approved
0.8686	High Similarity	NPD1612	Clinical (unspecified phase)
0.8593	High Similarity	NPD1530	Clinical (unspecified phase)
0.8529	High Similarity	NPD1529	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD4908	Phase 1
0.8129	Intermediate Similarity	NPD6234	Discontinued
0.8015	Intermediate Similarity	NPD1610	Phase 2
0.8014	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7943	Intermediate Similarity	NPD4625	Phase 3
0.7929	Intermediate Similarity	NPD3018	Phase 2
0.7922	Intermediate Similarity	NPD1934	Approved
0.7922	Intermediate Similarity	NPD37	Approved
0.7902	Intermediate Similarity	NPD3620	Phase 2
0.7902	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7888	Intermediate Similarity	NPD7228	Approved
0.7885	Intermediate Similarity	NPD4967	Phase 2
0.7885	Intermediate Similarity	NPD4965	Approved
0.7885	Intermediate Similarity	NPD4966	Approved
0.7879	Intermediate Similarity	NPD5283	Phase 1
0.7857	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD6674	Discontinued
0.7801	Intermediate Similarity	NPD2861	Phase 2
0.7778	Intermediate Similarity	NPD4060	Phase 1
0.777	Intermediate Similarity	NPD2982	Phase 2
0.777	Intermediate Similarity	NPD2983	Phase 2
0.777	Intermediate Similarity	NPD4749	Approved
0.7762	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7754	Intermediate Similarity	NPD3705	Approved
0.7727	Intermediate Similarity	NPD228	Approved
0.7721	Intermediate Similarity	NPD1548	Phase 1
0.7698	Intermediate Similarity	NPD2981	Phase 2
0.7658	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD2801	Approved
0.7643	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD7473	Discontinued
0.76	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7584	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD7199	Phase 2
0.7576	Intermediate Similarity	NPD3021	Approved
0.7576	Intermediate Similarity	NPD3022	Approved
0.7548	Intermediate Similarity	NPD1653	Approved
0.7547	Intermediate Similarity	NPD3882	Suspended
0.7546	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7546	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7546	Intermediate Similarity	NPD6166	Phase 2
0.7532	Intermediate Similarity	NPD1465	Phase 2
0.7531	Intermediate Similarity	NPD6232	Discontinued
0.7518	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD5844	Phase 1
0.75	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4005	Discontinued
0.7485	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD7074	Phase 3
0.7419	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD7054	Approved
0.7403	Intermediate Similarity	NPD1511	Approved
0.74	Intermediate Similarity	NPD6100	Approved
0.74	Intermediate Similarity	NPD6099	Approved
0.7397	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD7240	Approved
0.7365	Intermediate Similarity	NPD7472	Approved
0.7351	Intermediate Similarity	NPD7266	Discontinued
0.7351	Intermediate Similarity	NPD5763	Approved
0.7351	Intermediate Similarity	NPD5762	Approved
0.7351	Intermediate Similarity	NPD3540	Phase 1
0.7349	Intermediate Similarity	NPD3818	Discontinued
0.7338	Intermediate Similarity	NPD7124	Phase 2
0.732	Intermediate Similarity	NPD3892	Phase 2
0.7313	Intermediate Similarity	NPD4750	Phase 3
0.7308	Intermediate Similarity	NPD1512	Approved
0.7303	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD1558	Phase 1
0.7297	Intermediate Similarity	NPD2238	Phase 2
0.7285	Intermediate Similarity	NPD3539	Phase 1
0.7284	Intermediate Similarity	NPD4055	Discovery
0.7278	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2677	Approved
0.7267	Intermediate Similarity	NPD6374	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD3817	Phase 2
0.7267	Intermediate Similarity	NPD6111	Discontinued
0.7255	Intermediate Similarity	NPD5177	Phase 3
0.7254	Intermediate Similarity	NPD1091	Approved
0.7251	Intermediate Similarity	NPD8054	Approved
0.7251	Intermediate Similarity	NPD8053	Approved
0.7251	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD6355	Discontinued
0.7248	Intermediate Similarity	NPD5735	Approved
0.7246	Intermediate Similarity	NPD6671	Approved
0.7246	Intermediate Similarity	NPD7157	Approved
0.7244	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD4678	Approved
0.7233	Intermediate Similarity	NPD4380	Phase 2
0.7233	Intermediate Similarity	NPD4675	Approved
0.7222	Intermediate Similarity	NPD6696	Suspended
0.7222	Intermediate Similarity	NPD8651	Approved
0.7195	Intermediate Similarity	NPD5494	Approved
0.7176	Intermediate Similarity	NPD7251	Discontinued
0.7162	Intermediate Similarity	NPD5111	Phase 2
0.7162	Intermediate Similarity	NPD5110	Phase 2
0.7162	Intermediate Similarity	NPD5109	Approved
0.7153	Intermediate Similarity	NPD7843	Approved
0.7152	Intermediate Similarity	NPD6959	Discontinued
0.7143	Intermediate Similarity	NPD3060	Approved
0.7135	Intermediate Similarity	NPD7808	Phase 3
0.7134	Intermediate Similarity	NPD7447	Phase 1
0.7133	Intermediate Similarity	NPD3657	Discovery
0.7133	Intermediate Similarity	NPD422	Phase 1
0.7133	Intermediate Similarity	NPD230	Phase 1
0.7118	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6797	Phase 2
0.7111	Intermediate Similarity	NPD2684	Approved
0.711	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD7229	Phase 3
0.7099	Intermediate Similarity	NPD7819	Suspended
0.7097	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD3750	Approved
0.7093	Intermediate Similarity	NPD7311	Approved
0.7093	Intermediate Similarity	NPD7310	Approved
0.7093	Intermediate Similarity	NPD7313	Approved
0.7093	Intermediate Similarity	NPD7312	Approved
0.7089	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD5090	Approved
0.7081	Intermediate Similarity	NPD5089	Approved
0.7073	Intermediate Similarity	NPD7075	Discontinued
0.707	Intermediate Similarity	NPD7212	Phase 2
0.707	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD7213	Phase 3
0.707	Intermediate Similarity	NPD7041	Phase 2
0.707	Intermediate Similarity	NPD4357	Discontinued
0.7056	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD2563	Approved
0.7055	Intermediate Similarity	NPD2560	Approved
0.7055	Intermediate Similarity	NPD3094	Phase 2
0.7055	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD7309	Approved
0.7051	Intermediate Similarity	NPD2219	Phase 1
0.7045	Intermediate Similarity	NPD940	Approved
0.7045	Intermediate Similarity	NPD846	Approved
0.7042	Intermediate Similarity	NPD1357	Approved
0.7039	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD4536	Approved
0.7039	Intermediate Similarity	NPD4538	Approved
0.7037	Intermediate Similarity	NPD290	Approved
0.7035	Intermediate Similarity	NPD7549	Discontinued
0.7035	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD5327	Phase 3
0.7032	Intermediate Similarity	NPD4237	Approved
0.7032	Intermediate Similarity	NPD4236	Phase 3
0.7032	Intermediate Similarity	NPD1652	Phase 2
0.7029	Intermediate Similarity	NPD7635	Approved
0.7029	Intermediate Similarity	NPD7906	Approved
0.7025	Intermediate Similarity	NPD2532	Approved
0.7025	Intermediate Similarity	NPD2533	Approved
0.7025	Intermediate Similarity	NPD2534	Approved
0.7025	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD27	Approved
0.7024	Intermediate Similarity	NPD2489	Approved
0.7021	Intermediate Similarity	NPD5536	Phase 2
0.702	Intermediate Similarity	NPD5124	Phase 1
0.702	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD3787	Discontinued
0.6994	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD4577	Approved
0.6994	Remote Similarity	NPD4578	Approved
0.6993	Remote Similarity	NPD1510	Phase 2
0.6993	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD4626	Approved
0.6993	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD6331	Phase 2
0.6987	Remote Similarity	NPD4110	Phase 3
0.6981	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.698	Remote Similarity	NPD7095	Approved
0.6975	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4097	Suspended
0.6971	Remote Similarity	NPD4663	Approved
0.697	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.697	Remote Similarity	NPD1242	Phase 1
0.6968	Remote Similarity	NPD1549	Phase 2
0.6966	Remote Similarity	NPD2232	Approved
0.6966	Remote Similarity	NPD2230	Approved
0.6966	Remote Similarity	NPD2233	Approved
0.6964	Remote Similarity	NPD2970	Approved
0.6964	Remote Similarity	NPD2969	Approved
0.6962	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD1240	Approved
0.695	Remote Similarity	NPD7340	Approved
0.6948	Remote Similarity	NPD2438	Suspended
0.6943	Remote Similarity	NPD6190	Approved
0.6943	Remote Similarity	NPD5241	Discontinued
0.6933	Remote Similarity	NPD6798	Discontinued
0.6932	Remote Similarity	NPD6841	Approved
0.6932	Remote Similarity	NPD6843	Phase 3

Structure

NPC471183 OpenBabel07101718202D 34 36 0 0 1 0 0 0 0 0999 V2000 -4.4882 -3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8603 -5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -4.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5551 -4.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0754 1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 -2.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 -1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 -1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8614 -3.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7366 -4.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -3.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1926 -3.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4247 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -2.5323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3529 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 0.2452 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 -1.4378 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9378 -0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 1.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 1.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7377 -2.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 17 2 0 0 0 0 11 20 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 15 3 1 6 0 0 0 15 16 1 0 0 0 0 16 4 1 6 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 28 1 0 0 0 0 20 25 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 27 2 0 0 0 0 23 34 1 1 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71726171
ChEMBL	CHEMBL2386334
ZINC

Physicochemical Properties

Molecular Weight:	474.26
ALogP:	0.2487
MLogP:	3.66
XLogP:	3.76
# Rotatable Bonds:	18
Polar Surface Area:	75.61
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	34

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