NPASS Natural Product

Natural Product: NPC471064

Natural Product ID:	NPC471064
Common Name:	Strebluslignanol F
IUPAC Name:	2-[2-hydroxy-5-[(2R,3R,5R,6R)-6-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3,5-dimethyl-1,4-dioxan-2-yl]phenyl]-4-prop-2-enylphenol
Synonyms:	strebluslignanol F
Molecular Formula:	C36H36O6
Standard InCHIKey:	GGSCBAFZUOZBIR-XKKCTNAZSA-N
Standard InCHI:	InChI=1S/C36H36O6/c1-5-7-23-9-13-31(37)27(17-23)29-19-25(11-15-33(29)39)35-21(3)41-22(4)36(42-35)26-12-16-34(40)30(20-26)28-18-24(8-6-2)10-14-32(28)38/h5-6,9-22,35-40H,1-2,7-8H2,3-4H3/t21-,22-,35+,36+/m1/s1
Canonical SMILES:	C=CCc1ccc(c(c1)c1cc(ccc1O)[C@H]1O[C@@H]([C@H](O[C@@H]1C)C)c1ccc(c(c1)c1cc(CC=C)ccc1O)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
NPO28043	Streblus asper	Species	Moraceae	Eukaryota	Roots			PMID[23434030]

Biological Activity

Activity Type	# Activity
IC50	3
Others	4

Activity Type	# Activity
Organism	3
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio CC50/IC50	=	11.87		17512094
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	43250	nM	20695474
NPT2	Others	Unspecified		Ratio CC50/IC50	=	2.41		20713660
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	11560	nM	18077363
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	56870	nM	19035792
NPT2	Others	Unspecified		Ratio CC50/IC50	=	3.17		15711537
NPT2	Others	Unspecified		CC50	=	137280	nM	26110443

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 NPC471064 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	245
0.1-0.2	1029
0.2-0.3	1983
0.3-0.4	5279
0.4-0.5	8197
0.5-0.6	3389
0.6-0.7	7740
0.7-0.8	2840
0.8-0.85	170
0.85-0.9	15
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9032	High Similarity	NPC174977
0.9032	High Similarity	NPC255026
0.8931	High Similarity	NPC184269
0.8797	High Similarity	NPC471522
0.8731	High Similarity	NPC470307
0.8731	High Similarity	NPC470308
0.8623	High Similarity	NPC475492
0.8613	High Similarity	NPC186033
0.8571	High Similarity	NPC174251
0.8571	High Similarity	NPC153182
0.854	High Similarity	NPC277331
0.854	High Similarity	NPC100482
0.8507	High Similarity	NPC476616
0.8507	High Similarity	NPC476617
0.8507	High Similarity	NPC476615
0.85	High Similarity	NPC215678
0.85	High Similarity	NPC274454
0.8468	Intermediate Similarity	NPC301651
0.8468	Intermediate Similarity	NPC473556
0.8455	Intermediate Similarity	NPC12656
0.8444	Intermediate Similarity	NPC472370
0.8392	Intermediate Similarity	NPC118000
0.8392	Intermediate Similarity	NPC477612
0.8392	Intermediate Similarity	NPC205501
0.8392	Intermediate Similarity	NPC162976
0.8358	Intermediate Similarity	NPC303144
0.8333	Intermediate Similarity	NPC273623
0.8321	Intermediate Similarity	NPC472646
0.8321	Intermediate Similarity	NPC71465
0.8309	Intermediate Similarity	NPC258780
0.8306	Intermediate Similarity	NPC473137
0.8296	Intermediate Similarity	NPC85435
0.8296	Intermediate Similarity	NPC92805
0.8293	Intermediate Similarity	NPC42911
0.8293	Intermediate Similarity	NPC290353
0.8293	Intermediate Similarity	NPC153795
0.8284	Intermediate Similarity	NPC103799
0.8271	Intermediate Similarity	NPC93962
0.8254	Intermediate Similarity	NPC476266
0.8248	Intermediate Similarity	NPC262585
0.8248	Intermediate Similarity	NPC18189
0.8248	Intermediate Similarity	NPC133463
0.8248	Intermediate Similarity	NPC472648
0.8248	Intermediate Similarity	NPC472647
0.8248	Intermediate Similarity	NPC472649
0.8248	Intermediate Similarity	NPC191462
0.8248	Intermediate Similarity	NPC20829
0.8248	Intermediate Similarity	NPC170328
0.8248	Intermediate Similarity	NPC206525
0.8244	Intermediate Similarity	NPC28476
0.8244	Intermediate Similarity	NPC133407
0.8239	Intermediate Similarity	NPC102280
0.8239	Intermediate Similarity	NPC248053
0.8239	Intermediate Similarity	NPC155564
0.8235	Intermediate Similarity	NPC124085
0.8235	Intermediate Similarity	NPC117048
0.8226	Intermediate Similarity	NPC176730
0.8226	Intermediate Similarity	NPC123175
0.8211	Intermediate Similarity	NPC308689
0.8209	Intermediate Similarity	NPC143483
0.8209	Intermediate Similarity	NPC254000
0.8207	Intermediate Similarity	NPC259707
0.8207	Intermediate Similarity	NPC471403
0.8201	Intermediate Similarity	NPC221134
0.8197	Intermediate Similarity	NPC265211
0.8197	Intermediate Similarity	NPC306045
0.8195	Intermediate Similarity	NPC148366
0.8195	Intermediate Similarity	NPC53986
0.8195	Intermediate Similarity	NPC311293
0.8195	Intermediate Similarity	NPC38664
0.8195	Intermediate Similarity	NPC274717
0.8194	Intermediate Similarity	NPC211561
0.8194	Intermediate Similarity	NPC318373
0.8194	Intermediate Similarity	NPC321657
0.8182	Intermediate Similarity	NPC262911
0.8182	Intermediate Similarity	NPC294558
0.8182	Intermediate Similarity	NPC204770
0.8182	Intermediate Similarity	NPC262297
0.8182	Intermediate Similarity	NPC263940
0.8182	Intermediate Similarity	NPC170103
0.8182	Intermediate Similarity	NPC70409
0.8182	Intermediate Similarity	NPC202742
0.8182	Intermediate Similarity	NPC236202
0.8182	Intermediate Similarity	NPC58190
0.8182	Intermediate Similarity	NPC108811
0.8182	Intermediate Similarity	NPC18185
0.8182	Intermediate Similarity	NPC82917
0.8175	Intermediate Similarity	NPC79957
0.8175	Intermediate Similarity	NPC37410
0.8175	Intermediate Similarity	NPC125579
0.8162	Intermediate Similarity	NPC77196
0.8154	Intermediate Similarity	NPC71094
0.8154	Intermediate Similarity	NPC150026
0.8151	Intermediate Similarity	NPC59692
0.8151	Intermediate Similarity	NPC226809
0.8151	Intermediate Similarity	NPC279406
0.8148	Intermediate Similarity	NPC228369
0.8148	Intermediate Similarity	NPC237424
0.8148	Intermediate Similarity	NPC164574
0.8148	Intermediate Similarity	NPC476166
0.8148	Intermediate Similarity	NPC162801
0.8148	Intermediate Similarity	NPC17343
0.8148	Intermediate Similarity	NPC206224
0.8148	Intermediate Similarity	NPC236014
0.8148	Intermediate Similarity	NPC118683
0.8148	Intermediate Similarity	NPC12875
0.8148	Intermediate Similarity	NPC244888
0.8148	Intermediate Similarity	NPC118114
0.8148	Intermediate Similarity	NPC473309
0.8148	Intermediate Similarity	NPC300875
0.8148	Intermediate Similarity	NPC196765
0.8148	Intermediate Similarity	NPC150011
0.8148	Intermediate Similarity	NPC211413
0.8148	Intermediate Similarity	NPC68205
0.8148	Intermediate Similarity	NPC164804
0.8148	Intermediate Similarity	NPC207892
0.8148	Intermediate Similarity	NPC129784
0.8148	Intermediate Similarity	NPC271945
0.8148	Intermediate Similarity	NPC238168
0.8148	Intermediate Similarity	NPC129106
0.8148	Intermediate Similarity	NPC293203
0.8148	Intermediate Similarity	NPC471517
0.8148	Intermediate Similarity	NPC280653
0.8148	Intermediate Similarity	NPC268917
0.8148	Intermediate Similarity	NPC282508
0.8148	Intermediate Similarity	NPC181497
0.8143	Intermediate Similarity	NPC470372
0.813	Intermediate Similarity	NPC44732
0.8129	Intermediate Similarity	NPC260842
0.8129	Intermediate Similarity	NPC475836
0.8125	Intermediate Similarity	NPC281549
0.8125	Intermediate Similarity	NPC227516
0.8125	Intermediate Similarity	NPC20757
0.812	Intermediate Similarity	NPC21563
0.812	Intermediate Similarity	NPC471077
0.8116	Intermediate Similarity	NPC3049
0.8115	Intermediate Similarity	NPC262365
0.8112	Intermediate Similarity	NPC96576
0.8112	Intermediate Similarity	NPC14468
0.811	Intermediate Similarity	NPC299180
0.8106	Intermediate Similarity	NPC285040
0.8106	Intermediate Similarity	NPC103420
0.8106	Intermediate Similarity	NPC17809
0.8106	Intermediate Similarity	NPC81641
0.8106	Intermediate Similarity	NPC102540
0.8106	Intermediate Similarity	NPC188022
0.8102	Intermediate Similarity	NPC296915
0.8102	Intermediate Similarity	NPC97834
0.8102	Intermediate Similarity	NPC198154
0.8102	Intermediate Similarity	NPC225696
0.8102	Intermediate Similarity	NPC115335
0.8102	Intermediate Similarity	NPC223008
0.8099	Intermediate Similarity	NPC208994
0.8099	Intermediate Similarity	NPC84684
0.8099	Intermediate Similarity	NPC238216
0.8099	Intermediate Similarity	NPC185388
0.8095	Intermediate Similarity	NPC224161
0.8088	Intermediate Similarity	NPC13005
0.808	Intermediate Similarity	NPC35344
0.808	Intermediate Similarity	NPC141003
0.8074	Intermediate Similarity	NPC27187
0.8074	Intermediate Similarity	NPC470225
0.8071	Intermediate Similarity	NPC22317
0.8062	Intermediate Similarity	NPC260832
0.8062	Intermediate Similarity	NPC135467
0.806	Intermediate Similarity	NPC87224
0.806	Intermediate Similarity	NPC472968
0.806	Intermediate Similarity	NPC222572
0.8058	Intermediate Similarity	NPC474687
0.8045	Intermediate Similarity	NPC26879
0.8045	Intermediate Similarity	NPC283049
0.8045	Intermediate Similarity	NPC50315
0.8045	Intermediate Similarity	NPC230479
0.8045	Intermediate Similarity	NPC276212
0.8041	Intermediate Similarity	NPC46335
0.803	Intermediate Similarity	NPC134195
0.803	Intermediate Similarity	NPC246648
0.803	Intermediate Similarity	NPC197351
0.803	Intermediate Similarity	NPC86502
0.803	Intermediate Similarity	NPC106914
0.8029	Intermediate Similarity	NPC170185
0.8017	Intermediate Similarity	NPC138942
0.8015	Intermediate Similarity	NPC312341
0.8	Intermediate Similarity	NPC471519
0.8	Intermediate Similarity	NPC471518
0.8	Intermediate Similarity	NPC134360
0.8	Intermediate Similarity	NPC470414
0.7986	Intermediate Similarity	NPC141717
0.7986	Intermediate Similarity	NPC126291
0.7985	Intermediate Similarity	NPC149796
0.7984	Intermediate Similarity	NPC121866
0.7984	Intermediate Similarity	NPC296683
0.7973	Intermediate Similarity	NPC115203
0.7972	Intermediate Similarity	NPC171932
0.7972	Intermediate Similarity	NPC28440
0.7971	Intermediate Similarity	NPC49603
0.7971	Intermediate Similarity	NPC187616
0.7971	Intermediate Similarity	NPC193026
0.7971	Intermediate Similarity	NPC473107
0.7971	Intermediate Similarity	NPC71372

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471064 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	245
0.1-0.2	852
0.2-0.3	1187
0.3-0.4	2613
0.4-0.5	2256
0.5-0.6	1214
0.6-0.7	694
0.7-0.8	98
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8346	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8195	Intermediate Similarity	NPD4908	Phase 1
0.7919	Intermediate Similarity	NPD8455	Phase 2
0.7852	Intermediate Similarity	NPD2861	Phase 2
0.7761	Intermediate Similarity	NPD8651	Approved
0.7669	Intermediate Similarity	NPD1610	Phase 2
0.7571	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7571	Intermediate Similarity	NPD1613	Approved
0.7535	Intermediate Similarity	NPD7097	Phase 1
0.7517	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD4625	Phase 3
0.7482	Intermediate Similarity	NPD3027	Phase 3
0.7468	Intermediate Similarity	NPD7768	Phase 2
0.7459	Intermediate Similarity	NPD3020	Approved
0.7447	Intermediate Similarity	NPD4060	Phase 1
0.7426	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD4538	Approved
0.7413	Intermediate Similarity	NPD4536	Approved
0.741	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7388	Intermediate Similarity	NPD5126	Approved
0.7388	Intermediate Similarity	NPD5125	Phase 3
0.7385	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD7447	Phase 1
0.7379	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD7266	Discontinued
0.7368	Intermediate Similarity	NPD7741	Discontinued
0.7368	Intermediate Similarity	NPD1548	Phase 1
0.7355	Intermediate Similarity	NPD2860	Approved
0.7355	Intermediate Similarity	NPD2859	Approved
0.7338	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD2342	Discontinued
0.7315	Intermediate Similarity	NPD7212	Phase 2
0.7315	Intermediate Similarity	NPD7041	Phase 2
0.7315	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD7213	Phase 3
0.7308	Intermediate Similarity	NPD7843	Approved
0.7308	Intermediate Similarity	NPD7635	Approved
0.7305	Intermediate Similarity	NPD6798	Discontinued
0.7279	Intermediate Similarity	NPD6674	Discontinued
0.7278	Intermediate Similarity	NPD6959	Discontinued
0.7273	Intermediate Similarity	NPD2933	Approved
0.7273	Intermediate Similarity	NPD2934	Approved
0.7273	Intermediate Similarity	NPD7157	Approved
0.7273	Intermediate Similarity	NPD6671	Approved
0.7255	Intermediate Similarity	NPD4380	Phase 2
0.725	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD5588	Approved
0.7241	Intermediate Similarity	NPD5960	Phase 3
0.7209	Intermediate Similarity	NPD3022	Approved
0.7209	Intermediate Similarity	NPD3021	Approved
0.7203	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD3094	Phase 2
0.7183	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD6583	Phase 3
0.7174	Intermediate Similarity	NPD6582	Phase 2
0.7162	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD3092	Approved
0.7153	Intermediate Similarity	NPD6355	Discontinued
0.7153	Intermediate Similarity	NPD1091	Approved
0.7143	Intermediate Similarity	NPD6584	Phase 3
0.7133	Intermediate Similarity	NPD6407	Approved
0.7133	Intermediate Similarity	NPD5058	Phase 3
0.7133	Intermediate Similarity	NPD6405	Approved
0.7132	Intermediate Similarity	NPD2684	Approved
0.7132	Intermediate Similarity	NPD5846	Approved
0.7132	Intermediate Similarity	NPD6516	Phase 2
0.7121	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD5283	Phase 1
0.7114	Intermediate Similarity	NPD8166	Discontinued
0.7114	Intermediate Similarity	NPD7003	Approved
0.7111	Intermediate Similarity	NPD3091	Approved
0.7101	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD7458	Discontinued
0.7077	Intermediate Similarity	NPD5451	Approved
0.7073	Intermediate Similarity	NPD1809	Phase 2
0.7063	Intermediate Similarity	NPD940	Approved
0.7063	Intermediate Similarity	NPD3764	Approved
0.7063	Intermediate Similarity	NPD846	Approved
0.705	Intermediate Similarity	NPD4749	Approved
0.705	Intermediate Similarity	NPD7876	Discontinued
0.7049	Intermediate Similarity	NPD845	Approved
0.7039	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD5124	Phase 1
0.7034	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD5735	Approved
0.7025	Intermediate Similarity	NPD7773	Phase 2
0.7014	Intermediate Similarity	NPD6233	Phase 2
0.7012	Intermediate Similarity	NPD5844	Phase 1
0.7012	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD8312	Approved
0.7006	Intermediate Similarity	NPD8313	Approved
0.7	Intermediate Similarity	NPD6696	Suspended
0.7	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD7095	Approved
0.6992	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD7075	Discontinued
0.6977	Remote Similarity	NPD968	Approved
0.6974	Remote Similarity	NPD7390	Discontinued
0.6972	Remote Similarity	NPD5736	Approved
0.6966	Remote Similarity	NPD3620	Phase 2
0.6966	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD5405	Approved
0.6959	Remote Similarity	NPD5408	Approved
0.6959	Remote Similarity	NPD5404	Approved
0.6959	Remote Similarity	NPD5406	Approved
0.6944	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD6166	Phase 2
0.6933	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD5327	Phase 3
0.6928	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD290	Approved
0.6918	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD5535	Approved
0.6913	Remote Similarity	NPD5762	Approved
0.6913	Remote Similarity	NPD5763	Approved
0.6908	Remote Similarity	NPD6667	Approved
0.6908	Remote Similarity	NPD6666	Approved
0.6901	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD7466	Approved
0.6887	Remote Similarity	NPD4628	Phase 3
0.6887	Remote Similarity	NPD4535	Phase 3
0.6884	Remote Similarity	NPD2286	Discontinued
0.6884	Remote Similarity	NPD3095	Discontinued
0.6884	Remote Similarity	NPD4626	Approved
0.6879	Remote Similarity	NPD6072	Discontinued
0.6879	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD7411	Suspended
0.6867	Remote Similarity	NPD2424	Discontinued
0.6867	Remote Similarity	NPD7037	Approved
0.685	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD7228	Approved
0.6842	Remote Similarity	NPD228	Approved
0.6835	Remote Similarity	NPD1934	Approved
0.6831	Remote Similarity	NPD4103	Phase 2
0.6831	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD7119	Phase 2
0.6818	Remote Similarity	NPD4750	Phase 3
0.6818	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD5691	Approved
0.6812	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6232	Discontinued
0.6809	Remote Similarity	NPD4659	Approved
0.68	Remote Similarity	NPD844	Approved
0.68	Remote Similarity	NPD7030	Discontinued
0.68	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.68	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD6815	Approved
0.6797	Remote Similarity	NPD3122	Phase 3
0.6792	Remote Similarity	NPD5929	Approved
0.6792	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD7819	Suspended
0.6788	Remote Similarity	NPD7473	Discontinued
0.6786	Remote Similarity	NPD3705	Approved
0.6781	Remote Similarity	NPD6663	Approved
0.6781	Remote Similarity	NPD7477	Discontinued
0.6779	Remote Similarity	NPD7033	Discontinued
0.6779	Remote Similarity	NPD4108	Discontinued
0.677	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD8053	Approved
0.6765	Remote Similarity	NPD6387	Discontinued
0.6765	Remote Similarity	NPD8054	Approved
0.6765	Remote Similarity	NPD4198	Discontinued
0.6763	Remote Similarity	NPD4589	Approved
0.6757	Remote Similarity	NPD4097	Suspended
0.6757	Remote Similarity	NPD6353	Approved
0.6755	Remote Similarity	NPD1549	Phase 2
0.6753	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD6057	Approved
0.6752	Remote Similarity	NPD6056	Approved
0.6752	Remote Similarity	NPD8158	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD8127	Discontinued
0.6746	Remote Similarity	NPD288	Approved
0.6746	Remote Similarity	NPD8453	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD5304	Approved
0.6739	Remote Similarity	NPD6580	Approved
0.6739	Remote Similarity	NPD6581	Approved
0.6739	Remote Similarity	NPD5303	Approved
0.6736	Remote Similarity	NPD3018	Phase 2
0.6735	Remote Similarity	NPD4140	Approved
0.6735	Remote Similarity	NPD2238	Phase 2
0.6733	Remote Similarity	NPD2935	Discontinued
0.6732	Remote Similarity	NPD2677	Approved
0.6732	Remote Similarity	NPD6190	Approved
0.673	Remote Similarity	NPD37	Approved
0.6728	Remote Similarity	NPD6234	Discontinued

Structure

NPC471064 OpenBabel07101719152D 42 46 0 0 1 0 0 0 0 0999 V2000 3.4641 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 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 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 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 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 2.0000 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 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 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 1.7321 -1.0000 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 0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 0.5000 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 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 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 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 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 3.4641 -1.0000 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 0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 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 5 2 0 0 0 0 2 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 2 0 0 0 0 9 23 1 0 0 0 0 10 14 2 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 24 2 0 0 0 0 18 28 1 0 0 0 0 19 25 2 0 0 0 0 19 29 1 0 0 0 0 20 26 2 0 0 0 0 20 30 1 0 0 0 0 21 3 1 6 0 0 0 21 35 1 0 0 0 0 21 41 1 0 0 0 0 22 4 1 1 0 0 0 22 36 1 0 0 0 0 22 41 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 2 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 25 1 1 0 0 0 35 42 1 0 0 0 0 36 26 1 6 0 0 0 36 42 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71580863
ChEMBL	CHEMBL2346743
ZINC

Physicochemical Properties

Molecular Weight:	564.25
ALogP:	-0.191
MLogP:	4.76
XLogP:	7.852
# Rotatable Bonds:	14
Polar Surface Area:	99.38
# H-Bond Aceptor:	2
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	42

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