CENISERTIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30FN7O
Molecular Weight	451.5397
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CENISERTIB

Structure Search

SMILES

CN1CCN(CC1)C2=C(C)C=C(NC3=NC=C(F)C(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)=N3)C=C2

InChI

InChIKey=KSOVGRCOLZZTPF-QMKUDKLTSA-N

InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H30FN7O
Molecular Weight	451.5397
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:17:04 UTC 2023` Edited by `admin` on `Fri Dec 15 19:17:04 UTC 2023`
Record UNII	5277GPA358
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CENISERTIB

Official Name

English

R-763

Common Name

English

BICYCLO(2.2.1)HEPT-5-ENE-2-CARBOXAMIDE, 3-((5-FLUORO-2-((3-METHYL-4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-4-PYRIMIDINYL)AMINO)-, (1S,2S,3R,4R)-

Systematic Name

English

AURORA KINASE INHIBITOR AS703569

Common Name

English

R 763

Code

English

Cenisertib [WHO-DD]

Common Name

English

AS703569

Code

English

(1S,2S,3R,4R)-3-((5-FLUORO-2-((3-METHYL-4-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)BICYCLO(2.2.1)HEPT-5-ENE-2-CARBOXAMIDE

Systematic Name

English

AS 703569

Code

English

AS-703569

Code

English

cenisertib [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62556

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

Code System Code Type Description

CAS

871357-89-0

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

PUBCHEM

11569967

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID20236147

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

DRUG BANK

DB06347

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

ChEMBL

CHEMBL1967878

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

NCI_THESAURUS

C64540

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

EVMPD

SUB129550

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

SMS_ID

100000155464

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

INN

9355

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

FDA UNII

5277GPA358

Created by admin on Fri Dec 15 19:17:04 UTC 2023 , Edited by admin on Fri Dec 15 19:17:04 UTC 2023

PRIMARY

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Interaction Type:

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ACTIVE MOIETY