NPASS Natural Product

Natural Product: NPC476592

Natural Product ID:	NPC476592
Common Name:	n.a.
IUPAC Name:	(2R,3R,4R,5S)-2-[[(3R,5S,6S,7R,9R,10R,13R,16R,17R)-7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-methoxyethyl]oxolan-2-yl]oxy-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-5-[(1S)-1-hydroxy-2-methoxyethyl]oxolane-3,4-diol
Synonyms:
Molecular Formula:	C43H74O14
Standard InCHIKey:	MXFMHAVXAGVCGZ-QLDMGMRTSA-N
Standard InCHI:	InChI=1S/C43H74O14/c1-9-22(20(2)3)11-10-21(4)31-29(54-40-35(50)33(48)37(55-40)27(45)18-52-7)17-25-30-24(13-15-43(25,31)6)42(5)14-12-23(44)16-26(42)32(47)39(30)57-41-36(51)34(49)38(56-41)28(46)19-53-8/h20-24,26-29,31-41,44-51H,9-19H2,1-8H3/t21-,22?,23-,24+,26-,27+,28+,29-,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42-,43+/m1/s1
Canonical SMILES:	COC[C@@H]([C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1CC2=C3[C@@H](O[C@@H]4O[C@H]([C@@H]([C@H]4O)O)[C@H](COC)O)[C@@H](O)[C@@H]4[C@]([C@H]3CC[C@@]2([C@H]1[C@@H](CCC(C(C)C)CC)C)C)(C)CC[C@H](C4)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
NPO19207	Anthenea chinensis	Species	NA	NA		at a depth of 2-20 m, Sanya Bay in the South China Sea	2007-OCT	PMID[20184290]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT111	Cell Line	K562	Homo sapiens	IC50	=	600	nM	20184290
NPT2	Others	Unspecified		IC50	=	3600	nM	20184290
NPT181	Cell Line	Bel-7402	Homo sapiens	IC50	=	2700	nM	20184290

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 NPC476592 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	176
0.1-0.2	1256
0.2-0.3	3472
0.3-0.4	7713
0.4-0.5	8444
0.5-0.6	5322
0.6-0.7	3115
0.7-0.8	1198
0.8-0.85	179
0.85-0.9	11
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9694	High Similarity	NPC476593
0.9694	High Similarity	NPC476595
0.95	High Similarity	NPC476594
0.8598	High Similarity	NPC13190
0.8585	High Similarity	NPC14630
0.8585	High Similarity	NPC157530
0.8585	High Similarity	NPC250089
0.8558	High Similarity	NPC93352
0.8545	High Similarity	NPC100048
0.8545	High Similarity	NPC476690
0.8519	High Similarity	NPC112274
0.8505	High Similarity	NPC170974
0.8505	High Similarity	NPC103627
0.8505	High Similarity	NPC191439
0.8468	Intermediate Similarity	NPC10366
0.844	Intermediate Similarity	NPC51154
0.8411	Intermediate Similarity	NPC473318
0.8411	Intermediate Similarity	NPC473328
0.8411	Intermediate Similarity	NPC28844
0.8396	Intermediate Similarity	NPC226642
0.8396	Intermediate Similarity	NPC33053
0.8381	Intermediate Similarity	NPC75608
0.8364	Intermediate Similarity	NPC11548
0.8349	Intermediate Similarity	NPC473567
0.8349	Intermediate Similarity	NPC42171
0.8349	Intermediate Similarity	NPC216595
0.8349	Intermediate Similarity	NPC231797
0.8333	Intermediate Similarity	NPC65155
0.8333	Intermediate Similarity	NPC141433
0.8333	Intermediate Similarity	NPC247037
0.8318	Intermediate Similarity	NPC476539
0.8318	Intermediate Similarity	NPC476538
0.8318	Intermediate Similarity	NPC476540
0.8318	Intermediate Similarity	NPC476541
0.8302	Intermediate Similarity	NPC26798
0.8302	Intermediate Similarity	NPC242748
0.8302	Intermediate Similarity	NPC181845
0.8288	Intermediate Similarity	NPC477030
0.8288	Intermediate Similarity	NPC477029
0.8286	Intermediate Similarity	NPC471888
0.8286	Intermediate Similarity	NPC471886
0.8286	Intermediate Similarity	NPC471885
0.8286	Intermediate Similarity	NPC471887
0.8273	Intermediate Similarity	NPC144068
0.8273	Intermediate Similarity	NPC476693
0.8257	Intermediate Similarity	NPC208189
0.8257	Intermediate Similarity	NPC197231
0.8257	Intermediate Similarity	NPC65034
0.8257	Intermediate Similarity	NPC476547
0.8252	Intermediate Similarity	NPC309493
0.8252	Intermediate Similarity	NPC216260
0.8252	Intermediate Similarity	NPC5358
0.8252	Intermediate Similarity	NPC275865
0.8241	Intermediate Similarity	NPC477026
0.8241	Intermediate Similarity	NPC472901
0.8241	Intermediate Similarity	NPC306131
0.8241	Intermediate Similarity	NPC476835
0.8241	Intermediate Similarity	NPC477027
0.8241	Intermediate Similarity	NPC128133
0.8241	Intermediate Similarity	NPC475670
0.8241	Intermediate Similarity	NPC70204
0.8224	Intermediate Similarity	NPC470432
0.8224	Intermediate Similarity	NPC14704
0.8224	Intermediate Similarity	NPC230507
0.8224	Intermediate Similarity	NPC283829
0.8224	Intermediate Similarity	NPC305423
0.8224	Intermediate Similarity	NPC113044
0.8224	Intermediate Similarity	NPC161676
0.8224	Intermediate Similarity	NPC54619
0.8214	Intermediate Similarity	NPC203862
0.8214	Intermediate Similarity	NPC20979
0.8208	Intermediate Similarity	NPC475365
0.819	Intermediate Similarity	NPC37207
0.8182	Intermediate Similarity	NPC263359
0.8182	Intermediate Similarity	NPC32361
0.8182	Intermediate Similarity	NPC31896
0.8182	Intermediate Similarity	NPC210569
0.8182	Intermediate Similarity	NPC19888
0.8182	Intermediate Similarity	NPC244431
0.8182	Intermediate Similarity	NPC254255
0.8174	Intermediate Similarity	NPC43842
0.8148	Intermediate Similarity	NPC476513
0.8148	Intermediate Similarity	NPC98696
0.8142	Intermediate Similarity	NPC475403
0.8142	Intermediate Similarity	NPC160888
0.8131	Intermediate Similarity	NPC472898
0.8131	Intermediate Similarity	NPC473476
0.8131	Intermediate Similarity	NPC472900
0.8131	Intermediate Similarity	NPC473923
0.8131	Intermediate Similarity	NPC472899
0.8125	Intermediate Similarity	NPC148965
0.8113	Intermediate Similarity	NPC474124
0.8113	Intermediate Similarity	NPC473124
0.8113	Intermediate Similarity	NPC475701
0.8113	Intermediate Similarity	NPC473123
0.8113	Intermediate Similarity	NPC473198
0.8113	Intermediate Similarity	NPC213190
0.8108	Intermediate Similarity	NPC469348
0.8108	Intermediate Similarity	NPC79900
0.8108	Intermediate Similarity	NPC469347
0.8108	Intermediate Similarity	NPC307642
0.8103	Intermediate Similarity	NPC295133
0.8103	Intermediate Similarity	NPC106589
0.8103	Intermediate Similarity	NPC202261
0.8103	Intermediate Similarity	NPC257207
0.8095	Intermediate Similarity	NPC176406
0.8095	Intermediate Similarity	NPC21568
0.8095	Intermediate Similarity	NPC285231
0.8095	Intermediate Similarity	NPC470434
0.8091	Intermediate Similarity	NPC475247
0.8091	Intermediate Similarity	NPC294129
0.8091	Intermediate Similarity	NPC473021
0.8091	Intermediate Similarity	NPC472987
0.8073	Intermediate Similarity	NPC300557
0.8073	Intermediate Similarity	NPC150372
0.8073	Intermediate Similarity	NPC218571
0.8073	Intermediate Similarity	NPC46190
0.8073	Intermediate Similarity	NPC6806
0.8073	Intermediate Similarity	NPC248746
0.8073	Intermediate Similarity	NPC84956
0.8073	Intermediate Similarity	NPC102016
0.8073	Intermediate Similarity	NPC151134
0.8073	Intermediate Similarity	NPC40728
0.8073	Intermediate Similarity	NPC42482
0.8073	Intermediate Similarity	NPC309278
0.8073	Intermediate Similarity	NPC95051
0.8073	Intermediate Similarity	NPC40440
0.8073	Intermediate Similarity	NPC22779
0.8073	Intermediate Similarity	NPC171073
0.8073	Intermediate Similarity	NPC475333
0.8073	Intermediate Similarity	NPC224098
0.8073	Intermediate Similarity	NPC475550
0.8073	Intermediate Similarity	NPC249265
0.8073	Intermediate Similarity	NPC73243
0.8073	Intermediate Similarity	NPC194207
0.8073	Intermediate Similarity	NPC477809
0.8073	Intermediate Similarity	NPC232054
0.8073	Intermediate Similarity	NPC470433
0.8073	Intermediate Similarity	NPC244086
0.8073	Intermediate Similarity	NPC208383
0.807	Intermediate Similarity	NPC229962
0.807	Intermediate Similarity	NPC473633
0.807	Intermediate Similarity	NPC476085
0.807	Intermediate Similarity	NPC5883
0.807	Intermediate Similarity	NPC29639
0.807	Intermediate Similarity	NPC44899
0.807	Intermediate Similarity	NPC304260
0.807	Intermediate Similarity	NPC195560
0.807	Intermediate Similarity	NPC477071
0.8056	Intermediate Similarity	NPC473469
0.8053	Intermediate Similarity	NPC93883
0.8053	Intermediate Similarity	NPC152615
0.8039	Intermediate Similarity	NPC72817
0.8039	Intermediate Similarity	NPC477927
0.8037	Intermediate Similarity	NPC473127
0.8037	Intermediate Similarity	NPC470885
0.8037	Intermediate Similarity	NPC471111
0.8037	Intermediate Similarity	NPC85593
0.8037	Intermediate Similarity	NPC221562
0.8037	Intermediate Similarity	NPC312774
0.8037	Intermediate Similarity	NPC474464
0.8037	Intermediate Similarity	NPC31430
0.8037	Intermediate Similarity	NPC187400
0.8037	Intermediate Similarity	NPC110656
0.8037	Intermediate Similarity	NPC203354
0.8036	Intermediate Similarity	NPC167183
0.8036	Intermediate Similarity	NPC477810
0.8036	Intermediate Similarity	NPC32707
0.8019	Intermediate Similarity	NPC300399
0.8019	Intermediate Similarity	NPC475344
0.8019	Intermediate Similarity	NPC471482
0.8019	Intermediate Similarity	NPC476471
0.8019	Intermediate Similarity	NPC136816
0.8018	Intermediate Similarity	NPC475354
0.8	Intermediate Similarity	NPC20822
0.8	Intermediate Similarity	NPC222202
0.8	Intermediate Similarity	NPC477811
0.8	Intermediate Similarity	NPC64348
0.8	Intermediate Similarity	NPC269297
0.8	Intermediate Similarity	NPC7341
0.8	Intermediate Similarity	NPC87998
0.8	Intermediate Similarity	NPC198325
0.8	Intermediate Similarity	NPC207243
0.8	Intermediate Similarity	NPC324598
0.8	Intermediate Similarity	NPC50689
0.8	Intermediate Similarity	NPC107607
0.8	Intermediate Similarity	NPC469942
0.8	Intermediate Similarity	NPC233391
0.8	Intermediate Similarity	NPC23808
0.8	Intermediate Similarity	NPC91497
0.8	Intermediate Similarity	NPC224314
0.8	Intermediate Similarity	NPC473200
0.8	Intermediate Similarity	NPC470867
0.7982	Intermediate Similarity	NPC218093
0.7982	Intermediate Similarity	NPC128123
0.7982	Intermediate Similarity	NPC128795
0.7982	Intermediate Similarity	NPC38376
0.7982	Intermediate Similarity	NPC48548
0.7982	Intermediate Similarity	NPC51172
0.7982	Intermediate Similarity	NPC476691

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476592 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	194
0.1-0.2	1901
0.2-0.3	3989
0.3-0.4	2092
0.4-0.5	573
0.5-0.6	310
0.6-0.7	82
0.7-0.8	20
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7931	Intermediate Similarity	NPD8033	Approved
0.7913	Intermediate Similarity	NPD7516	Approved
0.7845	Intermediate Similarity	NPD8377	Approved
0.7845	Intermediate Similarity	NPD8294	Approved
0.7826	Intermediate Similarity	NPD7327	Approved
0.7826	Intermediate Similarity	NPD7328	Approved
0.7778	Intermediate Similarity	NPD8379	Approved
0.7778	Intermediate Similarity	NPD8296	Approved
0.7778	Intermediate Similarity	NPD8335	Approved
0.7778	Intermediate Similarity	NPD8380	Approved
0.7778	Intermediate Similarity	NPD8378	Approved
0.7479	Intermediate Similarity	NPD7503	Approved
0.7429	Intermediate Similarity	NPD8171	Discontinued
0.7377	Intermediate Similarity	NPD7507	Approved
0.7281	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD6412	Phase 2
0.72	Intermediate Similarity	NPD7319	Approved
0.7193	Intermediate Similarity	NPD6686	Approved
0.7117	Intermediate Similarity	NPD4159	Approved
0.7034	Intermediate Similarity	NPD8133	Approved
0.6992	Remote Similarity	NPD6370	Approved
0.6937	Remote Similarity	NPD7638	Approved
0.6905	Remote Similarity	NPD8293	Discontinued
0.6875	Remote Similarity	NPD7639	Approved
0.6875	Remote Similarity	NPD7640	Approved
0.686	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.685	Remote Similarity	NPD7736	Approved
0.6838	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD6054	Approved
0.6829	Remote Similarity	NPD6059	Approved
0.68	Remote Similarity	NPD6067	Discontinued
0.6792	Remote Similarity	NPD7524	Approved
0.6783	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD8449	Approved
0.6765	Remote Similarity	NPD6928	Phase 2
0.6754	Remote Similarity	NPD7632	Discontinued
0.6718	Remote Similarity	NPD8450	Suspended
0.6641	Remote Similarity	NPD7078	Approved
0.664	Remote Similarity	NPD6015	Approved
0.664	Remote Similarity	NPD6016	Approved
0.6639	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD4225	Approved
0.6614	Remote Similarity	NPD7492	Approved
0.6587	Remote Similarity	NPD5988	Approved
0.6562	Remote Similarity	NPD6616	Approved
0.6535	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD8513	Phase 3
0.6508	Remote Similarity	NPD8515	Approved
0.6508	Remote Similarity	NPD8516	Approved
0.6508	Remote Similarity	NPD8517	Approved
0.65	Remote Similarity	NPD7625	Phase 1
0.6481	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD7525	Registered
0.6415	Remote Similarity	NPD6695	Phase 3
0.6406	Remote Similarity	NPD8328	Phase 3
0.6393	Remote Similarity	NPD8297	Approved
0.6393	Remote Similarity	NPD6882	Approved
0.6387	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD5344	Discontinued
0.6336	Remote Similarity	NPD6033	Approved
0.633	Remote Similarity	NPD7750	Discontinued
0.632	Remote Similarity	NPD6009	Approved
0.632	Remote Similarity	NPD7115	Discovery
0.6299	Remote Similarity	NPD6319	Approved
0.6286	Remote Similarity	NPD4748	Discontinued
0.6275	Remote Similarity	NPD6942	Approved
0.6275	Remote Similarity	NPD7339	Approved
0.6216	Remote Similarity	NPD6051	Approved
0.621	Remote Similarity	NPD4632	Approved
0.6198	Remote Similarity	NPD7320	Approved
0.619	Remote Similarity	NPD6929	Approved
0.619	Remote Similarity	NPD7645	Phase 2
0.6179	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6167	Remote Similarity	NPD5739	Approved
0.6167	Remote Similarity	NPD7128	Approved
0.6167	Remote Similarity	NPD6008	Approved
0.6167	Remote Similarity	NPD6675	Approved
0.6167	Remote Similarity	NPD6402	Approved
0.6148	Remote Similarity	NPD6373	Approved
0.6148	Remote Similarity	NPD6372	Approved
0.6132	Remote Similarity	NPD6931	Approved
0.6132	Remote Similarity	NPD6930	Phase 2
0.6129	Remote Similarity	NPD6053	Discontinued
0.6116	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6087	Remote Similarity	NPD7991	Discontinued
0.6066	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6066	Remote Similarity	NPD6899	Approved
0.6066	Remote Similarity	NPD6881	Approved
0.6058	Remote Similarity	NPD6933	Approved
0.6055	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6053	Remote Similarity	NPD6399	Phase 3
0.6048	Remote Similarity	NPD6649	Approved
0.6048	Remote Similarity	NPD6650	Approved
0.6048	Remote Similarity	NPD8130	Phase 1
0.604	Remote Similarity	NPD7532	Clinical (unspecified phase)
0.6018	Remote Similarity	NPD7838	Discovery
0.6018	Remote Similarity	NPD3168	Discontinued
0.6017	Remote Similarity	NPD6648	Approved
0.6015	Remote Similarity	NPD8074	Phase 3
0.6	Remote Similarity	NPD5776	Phase 2
0.6	Remote Similarity	NPD6925	Approved
0.5984	Remote Similarity	NPD5701	Approved
0.5984	Remote Similarity	NPD5697	Approved
0.5983	Remote Similarity	NPD4755	Approved
0.5981	Remote Similarity	NPD7514	Phase 3
0.5968	Remote Similarity	NPD7102	Approved
0.5968	Remote Similarity	NPD4634	Approved
0.5968	Remote Similarity	NPD7290	Approved
0.5968	Remote Similarity	NPD6883	Approved
0.5965	Remote Similarity	NPD7087	Discontinued
0.5965	Remote Similarity	NPD7637	Suspended
0.5943	Remote Similarity	NPD7145	Approved
0.5941	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.5932	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.5926	Remote Similarity	NPD6902	Approved
0.592	Remote Similarity	NPD6869	Approved
0.592	Remote Similarity	NPD6617	Approved
0.592	Remote Similarity	NPD6847	Approved
0.5917	Remote Similarity	NPD5211	Phase 2
0.5913	Remote Similarity	NPD4202	Approved
0.5909	Remote Similarity	NPD4786	Approved
0.5909	Remote Similarity	NPD7604	Phase 2
0.5902	Remote Similarity	NPD6640	Phase 3
0.5893	Remote Similarity	NPD4250	Approved
0.5893	Remote Similarity	NPD4251	Approved
0.5887	Remote Similarity	NPD6013	Approved
0.5887	Remote Similarity	NPD6012	Approved
0.5887	Remote Similarity	NPD6014	Approved
0.5882	Remote Similarity	NPD5956	Approved
0.5882	Remote Similarity	NPD4700	Approved
0.5882	Remote Similarity	NPD5285	Approved
0.5882	Remote Similarity	NPD4696	Approved
0.5882	Remote Similarity	NPD5286	Approved
0.5878	Remote Similarity	NPD5983	Phase 2
0.5877	Remote Similarity	NPD46	Approved
0.5877	Remote Similarity	NPD6698	Approved
0.5872	Remote Similarity	NPD3667	Approved
0.5865	Remote Similarity	NPD1810	Approved
0.5865	Remote Similarity	NPD1811	Approved
0.5865	Remote Similarity	NPD6926	Approved
0.5865	Remote Similarity	NPD4785	Approved
0.5865	Remote Similarity	NPD4784	Approved
0.5865	Remote Similarity	NPD6924	Approved
0.5856	Remote Similarity	NPD6893	Approved
0.5849	Remote Similarity	NPD6932	Approved
0.5847	Remote Similarity	NPD6084	Phase 2
0.5847	Remote Similarity	NPD6083	Phase 2
0.5833	Remote Similarity	NPD5125	Phase 3
0.5833	Remote Similarity	NPD5126	Approved
0.5833	Remote Similarity	NPD7332	Phase 2
0.5826	Remote Similarity	NPD8035	Phase 2
0.5826	Remote Similarity	NPD8034	Phase 2
0.5825	Remote Similarity	NPD4243	Approved
0.5821	Remote Similarity	NPD6336	Discontinued
0.582	Remote Similarity	NPD5141	Approved
0.581	Remote Similarity	NPD8264	Approved
0.5806	Remote Similarity	NPD6011	Approved
0.5804	Remote Similarity	NPD4249	Approved
0.5804	Remote Similarity	NPD3618	Phase 1
0.5794	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.5789	Remote Similarity	NPD5328	Approved
0.5785	Remote Similarity	NPD4633	Approved
0.5785	Remote Similarity	NPD5224	Approved
0.5785	Remote Similarity	NPD5225	Approved
0.5785	Remote Similarity	NPD5226	Approved
0.5776	Remote Similarity	NPD7799	Discontinued
0.5772	Remote Similarity	NPD4767	Approved
0.5772	Remote Similarity	NPD4768	Approved
0.5766	Remote Similarity	NPD3665	Phase 1
0.5766	Remote Similarity	NPD3133	Approved
0.5766	Remote Similarity	NPD3666	Approved
0.5741	Remote Similarity	NPD6683	Phase 2
0.5738	Remote Similarity	NPD5175	Approved
0.5738	Remote Similarity	NPD5174	Approved
0.5726	Remote Similarity	NPD7748	Approved
0.5714	Remote Similarity	NPD6371	Approved
0.5714	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD7902	Approved
0.5702	Remote Similarity	NPD5223	Approved
0.5702	Remote Similarity	NPD6903	Approved
0.569	Remote Similarity	NPD6079	Approved
0.5688	Remote Similarity	NPD7509	Discontinued
0.5683	Remote Similarity	NPD6845	Suspended
0.5682	Remote Similarity	NPD7741	Discontinued
0.568	Remote Similarity	NPD4729	Approved
0.568	Remote Similarity	NPD4730	Approved
0.5678	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.5673	Remote Similarity	NPD7150	Approved
0.5673	Remote Similarity	NPD7151	Approved
0.5673	Remote Similarity	NPD7152	Approved
0.5664	Remote Similarity	NPD6684	Approved
0.5664	Remote Similarity	NPD7521	Approved
0.5664	Remote Similarity	NPD7146	Approved
0.5664	Remote Similarity	NPD7334	Approved
0.5664	Remote Similarity	NPD6409	Approved
0.5664	Remote Similarity	NPD5330	Approved
0.5652	Remote Similarity	NPD4753	Phase 2
0.5645	Remote Similarity	NPD5357	Phase 1
0.5639	Remote Similarity	NPD6921	Approved

Structure

External Identifiers

PubChem CID	46886870
ChEMBL	CHEMBL1097919
ZINC

Physicochemical Properties

Molecular Weight:	814.51
ALogP:	-3.4848
MLogP:	4.65
XLogP:	3.859
# Rotatable Bonds:	32
Polar Surface Area:	217.22
# H-Bond Aceptor:	14
# H-Bond Donor:	8
# Rings:	6
# Heavy Atoms:	57

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