Ibcasertib

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H21N3O3
Molecular Weight	435.4739
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ibcasertib

Structure Search

SMILES

COC1=CC2=C(C=C1)C(OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=C(N)C=CC=C5)=CC=N2

InChI

InChIKey=BRKWREZNORONDU-UHFFFAOYSA-N

InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C27H21N3O3
Molecular Weight	435.4739
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:29 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:29 GMT 2023`
Record UNII	F40IRN5981
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ibcasertib

Official Name

English

Chiauranib [WHO-DD]

Common Name

English

ibcasertib [INN]

Common Name

English

CS2164

Code

English

1-Naphthalenecarboxamide, N-(2-aminophenyl)-6-[(7-methoxy-4-quinolinyl)oxy]-

Systematic Name

English

CHIAURANIB

Common Name

English

N-(2-aminophenyl)-6-[(7-methoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide

Systematic Name

English

CS-2164

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

836221

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

Code System Code Type Description

SMS_ID

300000045573

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

PRIMARY

INN

11902

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

PRIMARY

FDA UNII

F40IRN5981

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

PRIMARY

PUBCHEM

49779393

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

PRIMARY

NCI_THESAURUS

C115970

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

PRIMARY

CAS

1256349-48-0

Created by admin on Sat Dec 16 14:36:30 GMT 2023 , Edited by admin on Sat Dec 16 14:36:30 GMT 2023

PRIMARY

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