BMS-740808

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H27F3N6O3
Molecular Weight	588.5797
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NOC2=C1C=C(C=C2)N3N=C(C4=C3C(=O)N(CC4)C5=CC=C(C=C5)C6=CC=CC=C6CN7CC[C@@H](O)C7)C(F)(F)F

InChI

InChIKey=DFRIQJHMGZBFOM-JOCHJYFZSA-N

InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H27F3N6O3
Molecular Weight	588.5797
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:30:40 UTC 2023` Edited by `admin` on `Sat Dec 16 00:30:40 UTC 2023`
Record UNII	LDD74E663F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-740808

Common Name

English

7H-PYRAZOLO(3,4-C)PYRIDIN-7-ONE, 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-1,4,5,6-TETRAHYDRO-6-(2'-(((3R)-3-HYDROXY-1-PYRROLIDINYL)METHYL)(1,1'-BIPHENYL)-4-YL)-3-(TRIFLUOROMETHYL)-

Systematic Name

English

1-(3-AMINO-1,2-BENZ(D)ISOXAZOL-5-YL)-3-TRIFLUOROMETHYL-6-(4-(2-(((3R)-3-HYDROXY-1-PYRROLIDINYL)METHYL)PHENYL)PHENYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO(3,4-C)PYRIDIN-7-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

LDD74E663F

Created by admin on Sat Dec 16 00:30:40 UTC 2023 , Edited by admin on Sat Dec 16 00:30:40 UTC 2023

PRIMARY

EPA CompTox

DTXSID40182293

Created by admin on Sat Dec 16 00:30:40 UTC 2023 , Edited by admin on Sat Dec 16 00:30:40 UTC 2023

PRIMARY

CAS

280118-23-2

Created by admin on Sat Dec 16 00:30:40 UTC 2023 , Edited by admin on Sat Dec 16 00:30:40 UTC 2023

PRIMARY

PUBCHEM

6914623

Created by admin on Sat Dec 16 00:30:40 UTC 2023 , Edited by admin on Sat Dec 16 00:30:40 UTC 2023

PRIMARY

Related Record Type Details


					LDD74E663F

BMS-740808

ACTIVE MOIETY