NPASS Natural Product

Natural Product: NPC473137

Natural Product ID:	NPC473137
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H22O6
Standard InCHIKey:	OEEVVKOBSPJYJH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H22O6/c20-14-3-1-10-5-12(14)13-6-11(2-4-15(13)21)8-17(23)19(25)9-18(24)16(22)7-10/h1-6,16-25H,7-9H2
Canonical SMILES:	OC1CC(O)C(O)Cc2ccc(c(c3cc(CC1O)ccc3O)c2)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
NPO15361	Alnus japonica	Species	Betulaceae	Eukaryota				PMID[26341132]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	58.5	%	19284743

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 NPC473137 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	209
0.1-0.2	944
0.2-0.3	1911
0.3-0.4	5629
0.4-0.5	8279
0.5-0.6	3956
0.6-0.7	7306
0.7-0.8	2412
0.8-0.85	194
0.85-0.9	43
0.9-0.95	3
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9813	High Similarity	NPC12656
0.9717	High Similarity	NPC308689
0.9623	High Similarity	NPC44732
0.9434	High Similarity	NPC262365
0.9123	High Similarity	NPC223451
0.9057	High Similarity	NPC288411
0.8972	High Similarity	NPC138942
0.8962	High Similarity	NPC168829
0.8909	High Similarity	NPC475018
0.8868	High Similarity	NPC40258
0.8868	High Similarity	NPC7686
0.8868	High Similarity	NPC91461
0.8824	High Similarity	NPC127975
0.8803	High Similarity	NPC31936
0.8774	High Similarity	NPC213730
0.8761	High Similarity	NPC120280
0.8739	High Similarity	NPC231767
0.8727	High Similarity	NPC95344
0.8707	High Similarity	NPC182240
0.8684	High Similarity	NPC474486
0.8679	High Similarity	NPC78119
0.8679	High Similarity	NPC216468
0.8679	High Similarity	NPC132078
0.8679	High Similarity	NPC51333
0.8661	High Similarity	NPC179002
0.8661	High Similarity	NPC187583
0.8661	High Similarity	NPC257430
0.8632	High Similarity	NPC475245
0.8632	High Similarity	NPC473136
0.8609	High Similarity	NPC301651
0.8609	High Similarity	NPC473556
0.8584	High Similarity	NPC43525
0.8584	High Similarity	NPC228988
0.8584	High Similarity	NPC228425
0.8571	High Similarity	NPC226401
0.8571	High Similarity	NPC79793
0.8571	High Similarity	NPC174096
0.8571	High Similarity	NPC147634
0.8571	High Similarity	NPC120982
0.8571	High Similarity	NPC296683
0.8559	High Similarity	NPC61885
0.8559	High Similarity	NPC63698
0.8547	High Similarity	NPC151197
0.8545	High Similarity	NPC54765
0.8534	High Similarity	NPC476266
0.8532	High Similarity	NPC323810
0.8509	High Similarity	NPC471485
0.8509	High Similarity	NPC261343
0.8505	High Similarity	NPC128723
0.8496	Intermediate Similarity	NPC165770
0.8496	Intermediate Similarity	NPC225679
0.8496	Intermediate Similarity	NPC4493
0.8496	Intermediate Similarity	NPC476632
0.8482	Intermediate Similarity	NPC55617
0.8482	Intermediate Similarity	NPC473524
0.8482	Intermediate Similarity	NPC62258
0.8475	Intermediate Similarity	NPC472071
0.8468	Intermediate Similarity	NPC143483
0.8462	Intermediate Similarity	NPC469609
0.8455	Intermediate Similarity	NPC99557
0.8455	Intermediate Similarity	NPC219286
0.8455	Intermediate Similarity	NPC474839
0.8455	Intermediate Similarity	NPC154899
0.8455	Intermediate Similarity	NPC233396
0.8435	Intermediate Similarity	NPC107240
0.8426	Intermediate Similarity	NPC294741
0.8421	Intermediate Similarity	NPC286222
0.8421	Intermediate Similarity	NPC153795
0.8421	Intermediate Similarity	NPC42911
0.8421	Intermediate Similarity	NPC290353
0.839	Intermediate Similarity	NPC469644
0.8378	Intermediate Similarity	NPC248904
0.8378	Intermediate Similarity	NPC271274
0.8378	Intermediate Similarity	NPC92623
0.8378	Intermediate Similarity	NPC135464
0.8376	Intermediate Similarity	NPC277588
0.8376	Intermediate Similarity	NPC320864
0.8376	Intermediate Similarity	NPC470760
0.8364	Intermediate Similarity	NPC119860
0.8361	Intermediate Similarity	NPC81641
0.8348	Intermediate Similarity	NPC141003
0.8348	Intermediate Similarity	NPC35344
0.8348	Intermediate Similarity	NPC117846
0.8347	Intermediate Similarity	NPC474160
0.8347	Intermediate Similarity	NPC473451
0.8333	Intermediate Similarity	NPC237667
0.8333	Intermediate Similarity	NPC95716
0.8333	Intermediate Similarity	NPC151537
0.8318	Intermediate Similarity	NPC82664
0.8318	Intermediate Similarity	NPC216520
0.8318	Intermediate Similarity	NPC292730
0.8318	Intermediate Similarity	NPC132271
0.8306	Intermediate Similarity	NPC311293
0.8306	Intermediate Similarity	NPC148366
0.8306	Intermediate Similarity	NPC472968
0.8306	Intermediate Similarity	NPC471064
0.8305	Intermediate Similarity	NPC9592
0.8305	Intermediate Similarity	NPC48781
0.8305	Intermediate Similarity	NPC471671
0.8302	Intermediate Similarity	NPC151715
0.8302	Intermediate Similarity	NPC128062
0.8291	Intermediate Similarity	NPC308828
0.8291	Intermediate Similarity	NPC115808
0.8281	Intermediate Similarity	NPC256262
0.8281	Intermediate Similarity	NPC79957
0.8264	Intermediate Similarity	NPC471794
0.8261	Intermediate Similarity	NPC46940
0.8257	Intermediate Similarity	NPC225506
0.8254	Intermediate Similarity	NPC103799
0.825	Intermediate Similarity	NPC469704
0.825	Intermediate Similarity	NPC160854
0.825	Intermediate Similarity	NPC24125
0.825	Intermediate Similarity	NPC469703
0.825	Intermediate Similarity	NPC201402
0.8246	Intermediate Similarity	NPC132720
0.8246	Intermediate Similarity	NPC63345
0.8241	Intermediate Similarity	NPC77492
0.8235	Intermediate Similarity	NPC191866
0.8226	Intermediate Similarity	NPC21563
0.8224	Intermediate Similarity	NPC313650
0.8224	Intermediate Similarity	NPC26244
0.822	Intermediate Similarity	NPC299180
0.822	Intermediate Similarity	NPC477136
0.822	Intermediate Similarity	NPC304510
0.822	Intermediate Similarity	NPC172219
0.8208	Intermediate Similarity	NPC271440
0.8205	Intermediate Similarity	NPC147179
0.8197	Intermediate Similarity	NPC53567
0.819	Intermediate Similarity	NPC123175
0.819	Intermediate Similarity	NPC176730
0.8182	Intermediate Similarity	NPC101025
0.8182	Intermediate Similarity	NPC471578
0.8182	Intermediate Similarity	NPC475166
0.8182	Intermediate Similarity	NPC469686
0.8165	Intermediate Similarity	NPC92730
0.8165	Intermediate Similarity	NPC122005
0.8165	Intermediate Similarity	NPC252821
0.816	Intermediate Similarity	NPC274717
0.8158	Intermediate Similarity	NPC58865
0.8158	Intermediate Similarity	NPC228343
0.8158	Intermediate Similarity	NPC254833
0.8158	Intermediate Similarity	NPC202647
0.8158	Intermediate Similarity	NPC265211
0.8158	Intermediate Similarity	NPC306045
0.8151	Intermediate Similarity	NPC154030
0.8151	Intermediate Similarity	NPC144343
0.8148	Intermediate Similarity	NPC473388
0.8136	Intermediate Similarity	NPC261973
0.8136	Intermediate Similarity	NPC477137
0.8136	Intermediate Similarity	NPC38893
0.8136	Intermediate Similarity	NPC219112
0.8136	Intermediate Similarity	NPC92
0.8136	Intermediate Similarity	NPC308311
0.8136	Intermediate Similarity	NPC469663
0.8136	Intermediate Similarity	NPC148055
0.813	Intermediate Similarity	NPC257682
0.813	Intermediate Similarity	NPC131747
0.813	Intermediate Similarity	NPC146355
0.813	Intermediate Similarity	NPC224342
0.8125	Intermediate Similarity	NPC474453
0.8125	Intermediate Similarity	NPC292452
0.8125	Intermediate Similarity	NPC170185
0.8125	Intermediate Similarity	NPC471350
0.812	Intermediate Similarity	NPC268160
0.812	Intermediate Similarity	NPC157338
0.8115	Intermediate Similarity	NPC471067
0.8115	Intermediate Similarity	NPC150026
0.8115	Intermediate Similarity	NPC71094
0.8113	Intermediate Similarity	NPC45040
0.8103	Intermediate Similarity	NPC302371
0.8103	Intermediate Similarity	NPC166995
0.8103	Intermediate Similarity	NPC473521
0.8091	Intermediate Similarity	NPC130103
0.8083	Intermediate Similarity	NPC176893
0.8083	Intermediate Similarity	NPC109371
0.8083	Intermediate Similarity	NPC217174
0.8083	Intermediate Similarity	NPC470215
0.8083	Intermediate Similarity	NPC470214
0.808	Intermediate Similarity	NPC476536
0.808	Intermediate Similarity	NPC165045
0.808	Intermediate Similarity	NPC118533
0.8077	Intermediate Similarity	NPC10737
0.8077	Intermediate Similarity	NPC209985
0.8077	Intermediate Similarity	NPC263367
0.8077	Intermediate Similarity	NPC477939
0.8077	Intermediate Similarity	NPC29799
0.8077	Intermediate Similarity	NPC177160
0.8077	Intermediate Similarity	NPC156502
0.8077	Intermediate Similarity	NPC54743
0.8073	Intermediate Similarity	NPC474073
0.8073	Intermediate Similarity	NPC225464
0.807	Intermediate Similarity	NPC233835
0.8065	Intermediate Similarity	NPC33654
0.8062	Intermediate Similarity	NPC124085
0.8062	Intermediate Similarity	NPC117048
0.8062	Intermediate Similarity	NPC184269
0.8056	Intermediate Similarity	NPC274678
0.8056	Intermediate Similarity	NPC8392
0.8053	Intermediate Similarity	NPC470700
0.8053	Intermediate Similarity	NPC109691

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473137 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	216
0.1-0.2	795
0.2-0.3	1224
0.3-0.4	2637
0.4-0.5	2278
0.5-0.6	1238
0.6-0.7	643
0.7-0.8	120
0.8-0.85	10
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8333	Intermediate Similarity	NPD3020	Approved
0.8224	Intermediate Similarity	NPD2859	Approved
0.8224	Intermediate Similarity	NPD2860	Approved
0.8158	Intermediate Similarity	NPD3021	Approved
0.8158	Intermediate Similarity	NPD3022	Approved
0.8131	Intermediate Similarity	NPD2934	Approved
0.8131	Intermediate Similarity	NPD2933	Approved
0.8065	Intermediate Similarity	NPD3094	Phase 2
0.8018	Intermediate Similarity	NPD940	Approved
0.8018	Intermediate Similarity	NPD846	Approved
0.7949	Intermediate Similarity	NPD7635	Approved
0.789	Intermediate Similarity	NPD1809	Phase 2
0.7886	Intermediate Similarity	NPD3092	Approved
0.787	Intermediate Similarity	NPD845	Approved
0.7829	Intermediate Similarity	NPD6407	Approved
0.7829	Intermediate Similarity	NPD6405	Approved
0.7826	Intermediate Similarity	NPD2342	Discontinued
0.7812	Intermediate Similarity	NPD3027	Phase 3
0.7798	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7768	Intermediate Similarity	NPD1242	Phase 1
0.7752	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7731	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7731	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7705	Intermediate Similarity	NPD3091	Approved
0.7692	Intermediate Similarity	NPD4750	Phase 3
0.7656	Intermediate Similarity	NPD2861	Phase 2
0.7647	Intermediate Similarity	NPD3400	Discontinued
0.7634	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD1613	Approved
0.7619	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7611	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD1610	Phase 2
0.7597	Intermediate Similarity	NPD4908	Phase 1
0.7581	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7568	Intermediate Similarity	NPD844	Approved
0.75	Intermediate Similarity	NPD288	Approved
0.75	Intermediate Similarity	NPD4060	Phase 1
0.7478	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD4538	Approved
0.7463	Intermediate Similarity	NPD4536	Approved
0.744	Intermediate Similarity	NPD4589	Approved
0.744	Intermediate Similarity	NPD3095	Discontinued
0.7422	Intermediate Similarity	NPD8651	Approved
0.7419	Intermediate Similarity	NPD5303	Approved
0.7419	Intermediate Similarity	NPD5304	Approved
0.7419	Intermediate Similarity	NPD1548	Phase 1
0.7407	Intermediate Similarity	NPD5960	Phase 3
0.7407	Intermediate Similarity	NPD5588	Approved
0.7395	Intermediate Similarity	NPD9380	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD3062	Approved
0.7368	Intermediate Similarity	NPD3061	Approved
0.7368	Intermediate Similarity	NPD3059	Approved
0.7364	Intermediate Similarity	NPD1133	Approved
0.7364	Intermediate Similarity	NPD4104	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD1134	Approved
0.7364	Intermediate Similarity	NPD1129	Approved
0.7364	Intermediate Similarity	NPD1135	Approved
0.7364	Intermediate Similarity	NPD4103	Phase 2
0.7364	Intermediate Similarity	NPD1131	Approved
0.7344	Intermediate Similarity	NPD4659	Approved
0.7333	Intermediate Similarity	NPD3553	Approved
0.7333	Intermediate Similarity	NPD3552	Approved
0.7333	Intermediate Similarity	NPD3554	Approved
0.7333	Intermediate Similarity	NPD3555	Approved
0.7328	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD1091	Approved
0.7317	Intermediate Similarity	NPD7157	Approved
0.7311	Intermediate Similarity	NPD2684	Approved
0.7304	Intermediate Similarity	NPD3028	Approved
0.7302	Intermediate Similarity	NPD5126	Approved
0.7302	Intermediate Similarity	NPD5125	Phase 3
0.7302	Intermediate Similarity	NPD9381	Approved
0.7302	Intermediate Similarity	NPD9384	Approved
0.7302	Intermediate Similarity	NPD2286	Discontinued
0.7299	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD2228	Approved
0.7295	Intermediate Similarity	NPD2234	Approved
0.7295	Intermediate Similarity	NPD2229	Approved
0.729	Intermediate Similarity	NPD111	Approved
0.7273	Intermediate Similarity	NPD4625	Phase 3
0.7266	Intermediate Similarity	NPD2561	Approved
0.7266	Intermediate Similarity	NPD2562	Approved
0.7259	Intermediate Similarity	NPD5314	Approved
0.7258	Intermediate Similarity	NPD7325	Clinical (unspecified phase)
0.7252	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD1476	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD497	Approved
0.7231	Intermediate Similarity	NPD1164	Approved
0.7227	Intermediate Similarity	NPD290	Approved
0.7213	Intermediate Similarity	NPD7843	Approved
0.7174	Intermediate Similarity	NPD7266	Discontinued
0.7172	Intermediate Similarity	NPD4380	Phase 2
0.7154	Intermediate Similarity	NPD495	Approved
0.7154	Intermediate Similarity	NPD5283	Phase 1
0.7154	Intermediate Similarity	NPD498	Approved
0.7154	Intermediate Similarity	NPD496	Approved
0.7143	Intermediate Similarity	NPD968	Approved
0.7132	Intermediate Similarity	NPD2568	Approved
0.7111	Intermediate Similarity	NPD2238	Phase 2
0.7101	Intermediate Similarity	NPD5408	Approved
0.7101	Intermediate Similarity	NPD5405	Approved
0.7101	Intermediate Similarity	NPD5404	Approved
0.7101	Intermediate Similarity	NPD5406	Approved
0.7099	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD4093	Discontinued
0.7077	Intermediate Similarity	NPD9622	Approved
0.7063	Intermediate Similarity	NPD856	Approved
0.7063	Intermediate Similarity	NPD16	Approved
0.7063	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6355	Discontinued
0.7054	Intermediate Similarity	NPD1201	Approved
0.7054	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7049	Intermediate Similarity	NPD9280	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD5058	Phase 3
0.704	Intermediate Similarity	NPD6671	Approved
0.7031	Intermediate Similarity	NPD3019	Approved
0.7031	Intermediate Similarity	NPD6516	Phase 2
0.7031	Intermediate Similarity	NPD4059	Approved
0.7031	Intermediate Similarity	NPD2932	Approved
0.7031	Intermediate Similarity	NPD5846	Approved
0.7031	Intermediate Similarity	NPD4626	Approved
0.7027	Intermediate Similarity	NPD8455	Phase 2
0.7008	Intermediate Similarity	NPD7741	Discontinued
0.7008	Intermediate Similarity	NPD7330	Discontinued
0.7	Intermediate Similarity	NPD2424	Discontinued
0.6992	Remote Similarity	NPD228	Approved
0.6992	Remote Similarity	NPD5736	Approved
0.6985	Remote Similarity	NPD3620	Phase 2
0.6985	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD943	Approved
0.6978	Remote Similarity	NPD2935	Discontinued
0.697	Remote Similarity	NPD1470	Approved
0.6967	Remote Similarity	NPD1792	Phase 2
0.6963	Remote Similarity	NPD6798	Discontinued
0.6963	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD5735	Approved
0.6929	Remote Similarity	NPD318	Approved
0.6929	Remote Similarity	NPD5762	Approved
0.6929	Remote Similarity	NPD5763	Approved
0.6929	Remote Similarity	NPD317	Approved
0.6917	Remote Similarity	NPD3690	Phase 2
0.6917	Remote Similarity	NPD9619	Approved
0.6917	Remote Similarity	NPD3691	Phase 2
0.6917	Remote Similarity	NPD9621	Approved
0.6917	Remote Similarity	NPD9620	Approved
0.6913	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD4628	Phase 3
0.6901	Remote Similarity	NPD4535	Phase 3
0.6884	Remote Similarity	NPD823	Approved
0.6884	Remote Similarity	NPD817	Approved
0.6875	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7390	Discontinued
0.6875	Remote Similarity	NPD7041	Phase 2
0.6871	Remote Similarity	NPD6057	Approved
0.6871	Remote Similarity	NPD6056	Approved
0.6861	Remote Similarity	NPD5837	Clinical (unspecified phase)
0.686	Remote Similarity	NPD1445	Approved
0.686	Remote Similarity	NPD1444	Approved
0.6853	Remote Similarity	NPD6190	Approved
0.6838	Remote Similarity	NPD601	Approved
0.6838	Remote Similarity	NPD9273	Approved
0.6838	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD597	Approved
0.6838	Remote Similarity	NPD598	Approved
0.6835	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD6674	Discontinued
0.6829	Remote Similarity	NPD5451	Approved
0.6828	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD9618	Approved
0.6825	Remote Similarity	NPD9614	Approved
0.6822	Remote Similarity	NPD5691	Approved
0.6822	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD1651	Approved
0.6818	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD6583	Phase 3
0.6818	Remote Similarity	NPD4749	Approved
0.6818	Remote Similarity	NPD1669	Approved
0.6818	Remote Similarity	NPD6582	Phase 2
0.6812	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD5124	Phase 1
0.6809	Remote Similarity	NPD6004	Phase 3
0.6809	Remote Similarity	NPD6002	Phase 3
0.6809	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD6005	Phase 3
0.6809	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD6666	Approved
0.6806	Remote Similarity	NPD6667	Approved
0.68	Remote Similarity	NPD9379	Approved
0.68	Remote Similarity	NPD9377	Approved
0.6791	Remote Similarity	NPD6584	Phase 3
0.6788	Remote Similarity	NPD6233	Phase 2
0.6788	Remote Similarity	NPD1136	Approved
0.6788	Remote Similarity	NPD6663	Approved

Structure

NPC473137 OpenBabel07101719242D 25 27 0 0 1 0 0 0 0 0999 V2000 3.2577 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -2.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 -2.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 -1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -2.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 -2.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5495 -2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 0.2581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3091 -0.5353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1220 0.4404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -3.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -3.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 -0.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 1.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 0.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 10 1 0 0 0 0 2 4 2 0 0 0 0 2 11 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 11 2 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71346180
ChEMBL	CHEMBL3617766
ZINC

Physicochemical Properties

Molecular Weight:	346.14
ALogP:	-3.1266
MLogP:	2.89
XLogP:	1.246
# Rotatable Bonds:	6
Polar Surface Area:	121.38
# H-Bond Aceptor:	4
# H-Bond Donor:	6
# Rings:	3
# Heavy Atoms:	25

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