RABUSERTIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22BrN5O3
Molecular Weight	436.303
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RABUSERTIB

Structure Search

SMILES

CC1=CN=C(NC(=O)NC2=CC(Br)=C(C)C=C2OC[C@@H]3CNCCO3)C=N1

InChI

InChIKey=SYYBDNPGDKKJDU-ZDUSSCGKSA-N

InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22BrN5O3
Molecular Weight	436.303
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 `Fri Dec 15 15:38:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:03 UTC 2023`
Record UNII	3S9L1NU6U7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RABUSERTIB

Official Name

English

rabusertib [INN]

Common Name

English

1-(5-BROMO-4-METHYL-2-((2S)-MORPHOLIN-2-YLMETHOXY)PHENYL)-3-(5-METHYLPYRAZIN-2-YL)UREA

Systematic Name

English

LY2603618

Code

English

IC-83

Code

English

RABUSERTIB [USAN]

Common Name

English

LY-2603618

Code

English

Rabusertib [WHO-DD]

Common Name

English

UREA, N-(5-BROMO-4-METHYL-2-((2S)-2-MORPHOLINYLMETHOXY)PHENYL)-N'-(5-METHYL-2- PYRAZINYL)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

NCI_THESAURUS

C61074

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL3039517

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

CAS

911222-45-2

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

USAN

YY-50

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID50238417

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

INN

9561

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

PUBCHEM

11955855

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

DRUG BANK

DB11662

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

NCI_THESAURUS

C81937

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

SMS_ID

300000034297

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

FDA UNII

3S9L1NU6U7

Created by admin on Fri Dec 15 15:38:04 UTC 2023 , Edited by admin on Fri Dec 15 15:38:04 UTC 2023

PRIMARY

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