ASTX-029

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H31ClFN5O5
Molecular Weight	584.038
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(F)=CC(=C1)[C@@H](CO)NC(=O)[C@@H](C)N2CC3=C(C=C(C=C3)C4=NC(NC5CCOCC5)=NC=C4Cl)C2=O

InChI

InChIKey=BVRGQPJKSKKGIH-PUAOIOHZSA-N

InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H31ClFN5O5
Molecular Weight	584.038
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:13 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:13 GMT 2023`
Record UNII	14FDK6ISC9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASTX-029

Code

English

ASTX 029 [WHO-DD]

Common Name

English

ASTX029

Code

English

2H-ISOINDOLE-2-ACETAMIDE, 6-(5-CHLORO-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-4-PYRIMIDINYL)-N-((1S)-1-(3-FLUORO-5-METHOXYPHENYL)-2-HYDROXYETHYL)-1,3-DIHYDRO-.ALPHA.-METHYL-1-OXO-, (.ALPHA.R)-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C155785