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A-966492

A-966492 structure

CAS No:
934162-61-5
Formula:
C18H17FN4O
Chemical Name:
A-966492
Synonyms:
A-966492;2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide;A-966492(A 966492);2-{2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl}-1H-1,3-benzodiazole-7-carboxaMide;2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamideA-966492;A-966492, >=98%
Categories:
Biochemical Engineering > Inhibitors

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Description

A-966492 is a novel and potent inhibitor of PARP1 and PARP2 with Ki of 1 nM and 1.5 nM, respectively.

A-966492 Basic Attributes

Molecular Weight：

324.36

Exact Mass：

324.138641

DSSTox ID：

DTXSID50586581

Characteristics

PSA：

83.8

XLogP3：

0.96

Density：

1.3±0.1 g/cm3

Boiling Point：

605.5±65.0 °C at 760 mmHg

Flash Point：

320.0±34.3 °C

Refractive Index：

1.665

Drug Information

MeSH：

Chemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES. (See all compounds classified as Poly(ADP-ribose) Polymerase Inhibitors.)

MeSH Entry Terms：

2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide

Computed Properties

Molecular Weight:324.4
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:324.13863934
Monoisotopic Mass:324.13863934
Topological Polar Surface Area:83.8
Heavy Atom Count:24
Complexity:476
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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A-966492

CAS No.: 934162-61-5

Content: 99%

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