Bcl-2-IN-5

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H63FN8O8S
Molecular Weight	1015.201
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(CN2CCN(C3CC4(C3)CN(C4)C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(NC[C@H]7CC[C@](C)(O)CC7)C(=C6)[N+]([O-])=O)C(OC8=CN=C9NC=C(F)C9=C8)=C5)[C@@H](C2)C%10=CC=CC=C%10C(C)C)C=C1

InChI

InChIKey=DDYYYKLOAZDKFR-FOURAMJMSA-N

InChI=1S/C55H63FN8O8S/c1-35(2)43-7-5-6-8-44(43)50-32-61(31-37-9-12-40(71-4)13-10-37)21-22-63(50)39-26-55(27-39)33-62(34-55)38-11-15-45(51(23-38)72-41-24-46-47(56)30-59-52(46)58-29-41)53(65)60-73(69,70)42-14-16-48(49(25-42)64(67)68)57-28-36-17-19-54(3,66)20-18-36/h5-16,23-25,29-30,35-36,39,50,57,66H,17-22,26-28,31-34H2,1-4H3,(H,58,59)(H,60,65)/t36-,50-,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C55H63FN8O8S
Molecular Weight	1015.201
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:53:10 GMT 2025` Edited by `admin` on `Wed Apr 02 19:53:10 GMT 2025`
Record UNII	HK6XL2T6RH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DA-61539

Preferred Name

English

Bcl-2-IN-5

Common Name

English

Benzamide, 2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-N-[[4-[[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-4-[6-[(2R)-4-[(4-methoxyphenyl)methyl]-2-[2-(1-methylethyl)phenyl]-1-piperazinyl]-2-azaspiro[3.3]hept-2-yl]-

Common Name

English

2-[(3-Fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-N-[[4-[[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-4-[6-[(2R)-4-[(4-methoxyphenyl)methyl]-2-[2-(1-methylethyl)phenyl]-1-piperazinyl]-2-azaspiro[3.3]hept-2-yl]benzamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

163322038

Created by admin on Wed Apr 02 19:53:10 GMT 2025 , Edited by admin on Wed Apr 02 19:53:10 GMT 2025

PRIMARY

CAS

2728752-20-1

Created by admin on Wed Apr 02 19:53:10 GMT 2025 , Edited by admin on Wed Apr 02 19:53:10 GMT 2025

PRIMARY

FDA UNII

HK6XL2T6RH

Created by admin on Wed Apr 02 19:53:10 GMT 2025 , Edited by admin on Wed Apr 02 19:53:10 GMT 2025

PRIMARY

Related Record Type Details


					HK6XL2T6RH

Bcl-2-IN-5

ACTIVE MOIETY

Amount: