Ocadusertib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H25N5O4
Molecular Weight	459.4971
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(OC[C@H](NC(=O)C3=NNC(CC4=CC=CC=C4)=N3)C1=O)C=CC(=C2)C#CC(C)(C)O

InChI

InChIKey=SQBZJKIINNRUFC-SFHVURJKSA-N

InChI=1S/C25H25N5O4/c1-25(2,33)12-11-17-9-10-20-19(13-17)30(3)24(32)18(15-34-20)26-23(31)22-27-21(28-29-22)14-16-7-5-4-6-8-16/h4-10,13,18,33H,14-15H2,1-3H3,(H,26,31)(H,27,28,29)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H25N5O4
Molecular Weight	459.4971
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 `Wed Apr 02 13:52:00 GMT 2025` Edited by `admin` on `Wed Apr 02 13:52:00 GMT 2025`
Record UNII	S53J4A7ME4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ocadusertib

Official Name

English

LY-3871801

Preferred Name

English

OCADUSERTIB [USAN]

Common Name

English

ocadusertib [INN]

Common Name

English

R-552

Code

English

R552

Code

English

5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-yn-1-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide

Systematic Name

English

LY3871801

Code

English

5-Benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-yn-1-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzoxazepin-3-yl]-4H-1,2,4-triazole-3-carboxamide

Systematic Name

English

1H-1,2,4-Triazole-5-carboxamide, 3-(phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-7-(3-hydroxy-3-methyl-1-butyn-1-yl)-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-

Systematic Name

English

3-(Phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-7-(3-hydroxy-3-methyl-1-butyn-1-yl)-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide

Systematic Name

English

Code System Code Type Description

INN

13241