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Details

Stereochemistry ACHIRAL
Molecular Formula C26H28N8O
Molecular Weight 468.5535
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ITACNOSERTIB

SMILES

COC1=CC(NC2=NC(NC3=CC=CN=C3C4=CC=CC=N4)=CC=N2)=CC=C1N5CCN(C)CC5

InChI

InChIKey=XSQKEVGTZSBVBR-UHFFFAOYSA-N
InChI=1S/C26H28N8O/c1-33-14-16-34(17-15-33)22-9-8-19(18-23(22)35-2)30-26-29-13-10-24(32-26)31-21-7-5-12-28-25(21)20-6-3-4-11-27-20/h3-13,18H,14-17H2,1-2H3,(H2,29,30,31,32)

HIDE SMILES / InChI

Molecular Formula C26H28N8O
Molecular Weight 468.5535
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:12:09 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:09 GMT 2023
Record UNII
22Z53X5LHF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ITACNOSERTIB
INN  
Official Name English
itacnosertib [INN]
Common Name English
N2-(3-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL)-N4-(2-(PYRIDIN-2-YL)PYRIDIN-3-YL)PYRIMIDINE-2,4-DIAMINE
Systematic Name English
Itacnosertib [WHO-DD]
Common Name English
2,4-PYRIMIDINEDIAMINE, N4-(2,2'-BIPYRIDIN)-3-YL-N2-(3-METHOXY-4-(4-METHYL-1-PIPERAZINYL)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
1628870-27-8
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
NCI_THESAURUS
C156729
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
FDA UNII
22Z53X5LHF
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
PUBCHEM
86290265
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
INN
11326
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
SMS_ID
300000023894
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
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TARGET -> INHIBITOR
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ACTIVE MOIETY