NPASS Natural Product

Natural Product: NPC476543

Natural Product ID:	NPC476543
Common Name:	Fistulosaponin B
IUPAC Name:
Synonyms:	fistulosaponin B
Molecular Formula:	C51H82O23
Standard InCHIKey:	WHGHRHMITMISMP-YNDRNILPSA-N
Standard InCHI:	InChI=1S/C51H82O23/c1-19(18-66-45-39(61)38(60)35(57)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(73-47-41(63)37(59)34(56)22(4)68-47)42(64)43(31(17-53)71-48)72-46-40(62)36(58)33(55)21(3)67-46/h7,19-22,24-26,28-48,52-53,55-65H,8-18H2,1-6H3/t19-,20-,21-,22-,24+,25-,26-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1
Canonical SMILES:	OC[C@H]1O[C@@H](O[C@@H]2CC3=CC[C@@H]4[C@@H]([C@]3(CC2=O)C)CC[C@]2([C@H]4C[C@H]3[C@@H]2[C@@H]([C@@](O3)(O)CC[C@@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)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
NPO28923	Allium fistulosum	Species	Amaryllidaceae	Eukaryota	Seeds	Zigong, Sichuan Province, China	2004-SEP	PMID[20515043]

Biological Activity

Activity Type	# Activity
Others	6

Activity Type	# Activity
Cell Line	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT737	Cell Line	HUVEC	Homo sapiens	Activity	=	65.7	%	20515043
NPT737	Cell Line	HUVEC	Homo sapiens	Activity	=	71.8	%	20515043
NPT737	Cell Line	HUVEC	Homo sapiens	Activity	=	77.2	%	20515043
NPT737	Cell Line	HUVEC	Homo sapiens	Activity	=	79.4	%	20515043
NPT737	Cell Line	HUVEC	Homo sapiens	Activity	=	82.1	%	20515043
NPT737	Cell Line	HUVEC	Homo sapiens	Activity	=	74.8	%	20515043

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 NPC476543 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	182
0.1-0.2	1021
0.2-0.3	3239
0.3-0.4	7369
0.4-0.5	8533
0.5-0.6	4976
0.6-0.7	3579
0.7-0.8	1385
0.8-0.85	448
0.85-0.9	115
0.9-0.95	39
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC476545
1.0	High Similarity	NPC476544
0.9649	High Similarity	NPC476542
0.9474	High Similarity	NPC249553
0.9474	High Similarity	NPC182900
0.9391	High Similarity	NPC94072
0.9391	High Similarity	NPC15918
0.9391	High Similarity	NPC305771
0.9391	High Similarity	NPC169816
0.9298	High Similarity	NPC161738
0.9204	High Similarity	NPC279638
0.9145	High Similarity	NPC256983
0.9138	High Similarity	NPC475182
0.9115	High Similarity	NPC474557
0.9068	High Similarity	NPC473505
0.906	High Similarity	NPC131824
0.9052	High Similarity	NPC475187
0.9016	High Similarity	NPC475487
0.9009	High Similarity	NPC244086
0.9009	High Similarity	NPC150372
0.9009	High Similarity	NPC249265
0.9009	High Similarity	NPC309278
0.9009	High Similarity	NPC470433
0.9009	High Similarity	NPC475333
0.9009	High Similarity	NPC46190
0.9009	High Similarity	NPC232054
0.9009	High Similarity	NPC477809
0.9009	High Similarity	NPC475550
0.9009	High Similarity	NPC6806
0.9009	High Similarity	NPC22779
0.9009	High Similarity	NPC171073
0.9009	High Similarity	NPC224098
0.9009	High Similarity	NPC248746
0.9009	High Similarity	NPC218571
0.9009	High Similarity	NPC84956
0.9009	High Similarity	NPC73243
0.9009	High Similarity	NPC102016
0.9009	High Similarity	NPC95051
0.9009	High Similarity	NPC194207
0.9009	High Similarity	NPC300557
0.9009	High Similarity	NPC208383
0.9008	High Similarity	NPC241008
0.8983	High Similarity	NPC228701
0.8983	High Similarity	NPC160084
0.8974	High Similarity	NPC476672
0.8947	High Similarity	NPC477808
0.8938	High Similarity	NPC210420
0.8938	High Similarity	NPC474265
0.8938	High Similarity	NPC130427
0.8929	High Similarity	NPC23808
0.8929	High Similarity	NPC222202
0.8929	High Similarity	NPC477811
0.8929	High Similarity	NPC269297
0.8929	High Similarity	NPC87998
0.8929	High Similarity	NPC224314
0.8919	High Similarity	NPC98696
0.8908	High Similarity	NPC248202
0.8908	High Similarity	NPC473474
0.8898	High Similarity	NPC156789
0.8889	High Similarity	NPC129393
0.8879	High Similarity	NPC475632
0.8879	High Similarity	NPC86020
0.887	High Similarity	NPC63609
0.887	High Similarity	NPC477031
0.885	High Similarity	NPC477032
0.885	High Similarity	NPC124677
0.885	High Similarity	NPC294129
0.885	High Similarity	NPC13193
0.885	High Similarity	NPC475247
0.885	High Similarity	NPC476547
0.885	High Similarity	NPC477028
0.8843	High Similarity	NPC293623
0.8843	High Similarity	NPC69273
0.8843	High Similarity	NPC168899
0.8833	High Similarity	NPC104427
0.8829	High Similarity	NPC113044
0.8829	High Similarity	NPC161676
0.8829	High Similarity	NPC470432
0.8829	High Similarity	NPC14704
0.8829	High Similarity	NPC283829
0.8829	High Similarity	NPC305423
0.8829	High Similarity	NPC94272
0.8829	High Similarity	NPC230507
0.8803	High Similarity	NPC197003
0.8803	High Similarity	NPC190939
0.8793	High Similarity	NPC477807
0.8783	High Similarity	NPC473882
0.8783	High Similarity	NPC165439
0.878	High Similarity	NPC473805
0.878	High Similarity	NPC473519
0.8772	High Similarity	NPC32361
0.8772	High Similarity	NPC210569
0.8772	High Similarity	NPC31896
0.8772	High Similarity	NPC42171
0.8772	High Similarity	NPC263359
0.8772	High Similarity	NPC244431
0.8761	High Similarity	NPC52241
0.8761	High Similarity	NPC475317
0.8761	High Similarity	NPC154856
0.8761	High Similarity	NPC247037
0.876	High Similarity	NPC292290
0.875	High Similarity	NPC190846
0.875	High Similarity	NPC476674
0.875	High Similarity	NPC277191
0.8739	High Similarity	NPC475431
0.8739	High Similarity	NPC181845
0.8729	High Similarity	NPC308459
0.8729	High Similarity	NPC471406
0.871	High Similarity	NPC102015
0.8696	High Similarity	NPC260665
0.8696	High Similarity	NPC477944
0.8696	High Similarity	NPC79900
0.8684	High Similarity	NPC470748
0.8673	High Similarity	NPC40440
0.8673	High Similarity	NPC42482
0.8673	High Similarity	NPC306131
0.8673	High Similarity	NPC477026
0.8673	High Similarity	NPC477027
0.8673	High Similarity	NPC70204
0.8673	High Similarity	NPC475670
0.8655	High Similarity	NPC476675
0.8644	High Similarity	NPC229962
0.8644	High Similarity	NPC195560
0.864	High Similarity	NPC478069
0.8621	High Similarity	NPC477810
0.8621	High Similarity	NPC32707
0.8621	High Similarity	NPC167183
0.8621	High Similarity	NPC11548
0.8609	High Similarity	NPC254255
0.8609	High Similarity	NPC308140
0.8607	High Similarity	NPC2757
0.8596	High Similarity	NPC141433
0.8595	High Similarity	NPC475194
0.8595	High Similarity	NPC130229
0.8584	High Similarity	NPC476541
0.8584	High Similarity	NPC476538
0.8584	High Similarity	NPC476540
0.8584	High Similarity	NPC295389
0.8584	High Similarity	NPC295980
0.8584	High Similarity	NPC476539
0.8571	High Similarity	NPC95243
0.8571	High Similarity	NPC50689
0.8571	High Similarity	NPC476670
0.8571	High Similarity	NPC207243
0.8571	High Similarity	NPC63023
0.8571	High Similarity	NPC233391
0.8571	High Similarity	NPC108072
0.8571	High Similarity	NPC198325
0.8559	High Similarity	NPC475357
0.8559	High Similarity	NPC109588
0.8547	High Similarity	NPC477030
0.8547	High Similarity	NPC477029
0.8534	High Similarity	NPC476546
0.8534	High Similarity	NPC251309
0.8525	High Similarity	NPC273962
0.8522	High Similarity	NPC197231
0.8509	High Similarity	NPC246205
0.8487	Intermediate Similarity	NPC476085
0.8487	Intermediate Similarity	NPC473633
0.8482	Intermediate Similarity	NPC100955
0.8482	Intermediate Similarity	NPC121566
0.8462	Intermediate Similarity	NPC74727
0.8462	Intermediate Similarity	NPC208832
0.8448	Intermediate Similarity	NPC19888
0.8448	Intermediate Similarity	NPC112274
0.8448	Intermediate Similarity	NPC233003
0.8443	Intermediate Similarity	NPC470477
0.8435	Intermediate Similarity	NPC114961
0.8435	Intermediate Similarity	NPC27551
0.843	Intermediate Similarity	NPC43842
0.8407	Intermediate Similarity	NPC474569
0.8407	Intermediate Similarity	NPC473476
0.8407	Intermediate Similarity	NPC309448
0.8407	Intermediate Similarity	NPC210178
0.8407	Intermediate Similarity	NPC242748
0.8407	Intermediate Similarity	NPC473923
0.8403	Intermediate Similarity	NPC475403
0.8403	Intermediate Similarity	NPC160888
0.8403	Intermediate Similarity	NPC475899
0.839	Intermediate Similarity	NPC189126
0.839	Intermediate Similarity	NPC471384
0.839	Intermediate Similarity	NPC161674
0.8376	Intermediate Similarity	NPC192600
0.8376	Intermediate Similarity	NPC114304
0.8376	Intermediate Similarity	NPC475287
0.8376	Intermediate Similarity	NPC73455
0.8376	Intermediate Similarity	NPC178981
0.8376	Intermediate Similarity	NPC323341
0.8376	Intermediate Similarity	NPC124296
0.8376	Intermediate Similarity	NPC251263
0.8376	Intermediate Similarity	NPC473826
0.8376	Intermediate Similarity	NPC174720
0.8376	Intermediate Similarity	NPC46665
0.8376	Intermediate Similarity	NPC200944
0.8376	Intermediate Similarity	NPC114287
0.8376	Intermediate Similarity	NPC469347
0.8376	Intermediate Similarity	NPC144068
0.8376	Intermediate Similarity	NPC476693
0.8376	Intermediate Similarity	NPC309714
0.8376	Intermediate Similarity	NPC155410

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476543 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	187
0.1-0.2	1495
0.2-0.3	4040
0.3-0.4	2305
0.4-0.5	606
0.5-0.6	284
0.6-0.7	166
0.7-0.8	71
0.8-0.85	7
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8496	Intermediate Similarity	NPD6412	Phase 2
0.813	Intermediate Similarity	NPD6370	Approved
0.8095	Intermediate Similarity	NPD7736	Approved
0.8067	Intermediate Similarity	NPD8133	Approved
0.8065	Intermediate Similarity	NPD8328	Phase 3
0.8016	Intermediate Similarity	NPD8293	Discontinued
0.8	Intermediate Similarity	NPD8170	Clinical (unspecified phase)
0.7967	Intermediate Similarity	NPD6059	Approved
0.7967	Intermediate Similarity	NPD6054	Approved
0.7869	Intermediate Similarity	NPD8295	Clinical (unspecified phase)
0.7823	Intermediate Similarity	NPD8377	Approved
0.7823	Intermediate Similarity	NPD8294	Approved
0.776	Intermediate Similarity	NPD8380	Approved
0.776	Intermediate Similarity	NPD8296	Approved
0.776	Intermediate Similarity	NPD8335	Approved
0.776	Intermediate Similarity	NPD8379	Approved
0.776	Intermediate Similarity	NPD8378	Approved
0.776	Intermediate Similarity	NPD6016	Approved
0.776	Intermediate Similarity	NPD8033	Approved
0.776	Intermediate Similarity	NPD6015	Approved
0.7731	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7717	Intermediate Similarity	NPD7492	Approved
0.7698	Intermediate Similarity	NPD5988	Approved
0.7656	Intermediate Similarity	NPD7507	Approved
0.7656	Intermediate Similarity	NPD6616	Approved
0.7597	Intermediate Similarity	NPD7078	Approved
0.7541	Intermediate Similarity	NPD6882	Approved
0.7541	Intermediate Similarity	NPD8297	Approved
0.7519	Intermediate Similarity	NPD8450	Suspended
0.7481	Intermediate Similarity	NPD7319	Approved
0.7444	Intermediate Similarity	NPD8449	Approved
0.744	Intermediate Similarity	NPD6009	Approved
0.7434	Intermediate Similarity	NPD8171	Discontinued
0.7405	Intermediate Similarity	NPD6033	Approved
0.7402	Intermediate Similarity	NPD6319	Approved
0.7381	Intermediate Similarity	NPD7328	Approved
0.7381	Intermediate Similarity	NPD7327	Approved
0.7364	Intermediate Similarity	NPD6067	Discontinued
0.7355	Intermediate Similarity	NPD7320	Approved
0.7355	Intermediate Similarity	NPD6686	Approved
0.7333	Intermediate Similarity	NPD6402	Approved
0.7333	Intermediate Similarity	NPD5739	Approved
0.7333	Intermediate Similarity	NPD7128	Approved
0.7333	Intermediate Similarity	NPD6675	Approved
0.7328	Intermediate Similarity	NPD6083	Phase 2
0.7328	Intermediate Similarity	NPD6084	Phase 2
0.7323	Intermediate Similarity	NPD7516	Approved
0.7317	Intermediate Similarity	NPD8413	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD6372	Approved
0.7295	Intermediate Similarity	NPD6373	Approved
0.7213	Intermediate Similarity	NPD6881	Approved
0.7213	Intermediate Similarity	NPD6899	Approved
0.7209	Intermediate Similarity	NPD8515	Approved
0.7209	Intermediate Similarity	NPD8516	Approved
0.7209	Intermediate Similarity	NPD7503	Approved
0.7209	Intermediate Similarity	NPD8517	Approved
0.72	Intermediate Similarity	NPD4632	Approved
0.7177	Intermediate Similarity	NPD6649	Approved
0.7177	Intermediate Similarity	NPD8130	Phase 1
0.7177	Intermediate Similarity	NPD6650	Approved
0.7164	Intermediate Similarity	NPD5956	Approved
0.7131	Intermediate Similarity	NPD5701	Approved
0.7131	Intermediate Similarity	NPD5697	Approved
0.713	Intermediate Similarity	NPD6399	Phase 3
0.7097	Intermediate Similarity	NPD6883	Approved
0.7097	Intermediate Similarity	NPD7290	Approved
0.7097	Intermediate Similarity	NPD7102	Approved
0.7077	Intermediate Similarity	NPD8513	Phase 3
0.704	Intermediate Similarity	NPD6869	Approved
0.704	Intermediate Similarity	NPD6617	Approved
0.704	Intermediate Similarity	NPD6847	Approved
0.7034	Intermediate Similarity	NPD4755	Approved
0.7027	Intermediate Similarity	NPD4786	Approved
0.7018	Intermediate Similarity	NPD4753	Phase 2
0.7016	Intermediate Similarity	NPD6012	Approved
0.7016	Intermediate Similarity	NPD6013	Approved
0.7016	Intermediate Similarity	NPD6014	Approved
0.7009	Intermediate Similarity	NPD5695	Phase 3
0.6975	Remote Similarity	NPD5696	Approved
0.697	Remote Similarity	NPD7604	Phase 2
0.696	Remote Similarity	NPD4634	Approved
0.6947	Remote Similarity	NPD5983	Phase 2
0.6935	Remote Similarity	NPD6011	Approved
0.6917	Remote Similarity	NPD5286	Approved
0.6917	Remote Similarity	NPD5285	Approved
0.6917	Remote Similarity	NPD4700	Approved
0.6917	Remote Similarity	NPD4696	Approved
0.6911	Remote Similarity	NPD6008	Approved
0.6905	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD6336	Discontinued
0.6847	Remote Similarity	NPD3667	Approved
0.6803	Remote Similarity	NPD5226	Approved
0.6803	Remote Similarity	NPD5211	Phase 2
0.6803	Remote Similarity	NPD5225	Approved
0.6803	Remote Similarity	NPD5224	Approved
0.6803	Remote Similarity	NPD4633	Approved
0.6783	Remote Similarity	NPD6672	Approved
0.6783	Remote Similarity	NPD5737	Approved
0.6774	Remote Similarity	NPD4768	Approved
0.6774	Remote Similarity	NPD4767	Approved
0.6754	Remote Similarity	NPD6098	Approved
0.6748	Remote Similarity	NPD5174	Approved
0.6748	Remote Similarity	NPD5175	Approved
0.6726	Remote Similarity	NPD3665	Phase 1
0.6726	Remote Similarity	NPD3666	Approved
0.6726	Remote Similarity	NPD3133	Approved
0.6724	Remote Similarity	NPD6673	Approved
0.6724	Remote Similarity	NPD6904	Approved
0.6724	Remote Similarity	NPD6080	Approved
0.6723	Remote Similarity	NPD5210	Approved
0.6723	Remote Similarity	NPD4629	Approved
0.6721	Remote Similarity	NPD5223	Approved
0.6695	Remote Similarity	NPD4202	Approved
0.6694	Remote Similarity	NPD5141	Approved
0.6692	Remote Similarity	NPD6274	Approved
0.6667	Remote Similarity	NPD5329	Approved
0.6667	Remote Similarity	NPD7100	Approved
0.6667	Remote Similarity	NPD4730	Approved
0.6667	Remote Similarity	NPD7101	Approved
0.6667	Remote Similarity	NPD4729	Approved
0.6641	Remote Similarity	NPD7115	Discovery
0.6639	Remote Similarity	NPD7748	Approved
0.6638	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD6903	Approved
0.6613	Remote Similarity	NPD4754	Approved
0.6612	Remote Similarity	NPD7902	Approved
0.6609	Remote Similarity	NPD6409	Approved
0.6609	Remote Similarity	NPD7334	Approved
0.6609	Remote Similarity	NPD5330	Approved
0.6609	Remote Similarity	NPD7146	Approved
0.6609	Remote Similarity	NPD6684	Approved
0.6609	Remote Similarity	NPD7521	Approved
0.6591	Remote Similarity	NPD6335	Approved
0.6581	Remote Similarity	NPD5328	Approved
0.6579	Remote Similarity	NPD4197	Approved
0.6567	Remote Similarity	NPD6908	Approved
0.6567	Remote Similarity	NPD6909	Approved
0.6562	Remote Similarity	NPD5251	Approved
0.6562	Remote Similarity	NPD5250	Approved
0.6562	Remote Similarity	NPD5249	Phase 3
0.6562	Remote Similarity	NPD5248	Approved
0.6562	Remote Similarity	NPD5247	Approved
0.6557	Remote Similarity	NPD7638	Approved
0.6535	Remote Similarity	NPD5128	Approved
0.6529	Remote Similarity	NPD5221	Approved
0.6529	Remote Similarity	NPD4697	Phase 3
0.6529	Remote Similarity	NPD5222	Approved
0.6529	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD8336	Approved
0.6522	Remote Similarity	NPD8337	Approved
0.6515	Remote Similarity	NPD6317	Approved
0.6504	Remote Similarity	NPD7639	Approved
0.6504	Remote Similarity	NPD7640	Approved
0.6475	Remote Similarity	NPD5173	Approved
0.6471	Remote Similarity	NPD5693	Phase 1
0.6471	Remote Similarity	NPD8034	Phase 2
0.6471	Remote Similarity	NPD6050	Approved
0.6471	Remote Similarity	NPD8035	Phase 2
0.6471	Remote Similarity	NPD7515	Phase 2
0.6471	Remote Similarity	NPD6079	Approved
0.6466	Remote Similarity	NPD6314	Approved
0.6466	Remote Similarity	NPD3618	Phase 1
0.6466	Remote Similarity	NPD5279	Phase 3
0.6466	Remote Similarity	NPD6313	Approved
0.6462	Remote Similarity	NPD6053	Discontinued
0.6457	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6446	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6435	Remote Similarity	NPD3668	Phase 3
0.6418	Remote Similarity	NPD4522	Approved
0.6406	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD4221	Approved
0.6404	Remote Similarity	NPD4223	Phase 3
0.6387	Remote Similarity	NPD5692	Phase 3
0.6385	Remote Similarity	NPD5215	Approved
0.6385	Remote Similarity	NPD5217	Approved
0.6385	Remote Similarity	NPD5216	Approved
0.6372	Remote Similarity	NPD6928	Phase 2
0.6364	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD5282	Discontinued
0.6364	Remote Similarity	NPD7900	Approved
0.6341	Remote Similarity	NPD7799	Discontinued
0.6333	Remote Similarity	NPD5694	Approved
0.6325	Remote Similarity	NPD4694	Approved
0.6325	Remote Similarity	NPD5690	Phase 2
0.6325	Remote Similarity	NPD5280	Approved
0.6316	Remote Similarity	NPD6868	Approved
0.6308	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD5135	Approved
0.6308	Remote Similarity	NPD5169	Approved
0.6306	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6271	Remote Similarity	NPD7524	Approved
0.626	Remote Similarity	NPD5127	Approved
0.6239	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6231	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6225	Remote Similarity	NPD7625	Phase 1
0.6216	Remote Similarity	NPD7339	Approved
0.6216	Remote Similarity	NPD6942	Approved
0.6214	Remote Similarity	NPD8074	Phase 3
0.6207	Remote Similarity	NPD4788	Approved

Structure

External Identifiers

PubChem CID	46849495
ChEMBL	CHEMBL1163906
ZINC

Physicochemical Properties

Molecular Weight:	1062.52
ALogP:	-6.5871
MLogP:	4.54
XLogP:	-0.674
# Rotatable Bonds:	33
Polar Surface Area:	363.13
# H-Bond Aceptor:	23
# H-Bond Donor:	13
# Rings:	9
# Heavy Atoms:	74

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