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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22F3N5O4
Molecular Weight 465.4257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Monzosertib

SMILES

CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/C3=CNC4=NC=CC=C34)C1=O

InChI

InChIKey=DNTVXDZWVOVLOD-GDNBJRDFSA-N
InChI=1S/C21H22F3N5O4/c1-2-32-20(31)16-17(30)15(10-13-11-26-18-14(13)4-3-5-25-18)33-19(16)27-29-8-6-28(7-9-29)12-21(22,23)24/h3-5,10-11,27H,2,6-9,12H2,1H3,(H,25,26)/b15-10-

HIDE SMILES / InChI

Molecular Formula C21H22F3N5O4
Molecular Weight 465.4257
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:12:15 GMT 2023
Edited
by admin
on Sat Dec 16 14:12:15 GMT 2023
Record UNII
HOY1L711NL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Monzosertib
INN  
Official Name English
monzosertib [INN]
Common Name English
ethyl 5-[(E)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]- 4-oxo-2-{[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino}- 4,5-dihydrofuran-3-carboxylate
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C199010
Created by admin on Sat Dec 16 14:12:15 GMT 2023 , Edited by admin on Sat Dec 16 14:12:15 GMT 2023
PRIMARY
INN
12440
Created by admin on Sat Dec 16 14:12:15 GMT 2023 , Edited by admin on Sat Dec 16 14:12:15 GMT 2023
PRIMARY
FDA UNII
HOY1L711NL
Created by admin on Sat Dec 16 14:12:15 GMT 2023 , Edited by admin on Sat Dec 16 14:12:15 GMT 2023
PRIMARY
CAS
1402057-88-8
Created by admin on Sat Dec 16 14:12:15 GMT 2023 , Edited by admin on Sat Dec 16 14:12:15 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY