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Details

Stereochemistry ACHIRAL
Molecular Formula C17H11ClN4O
Molecular Weight 322.748
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIM-1 INHIBITOR 2

SMILES

NC1=NC=CC(=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(Cl)C=C4

InChI

InChIKey=AQVFETGXIRKVAQ-UHFFFAOYSA-N
InChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
91.0 nM [Ki]
Name Type Language
PIM-1 INHIBITOR 2
Common Name English
2-PYRIMIDINAMINE, 4-(3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOL-5-YL)-
Systematic Name English
4-(3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOL-5-YL)-2-PYRIMIDINAMINE
Systematic Name English
4-(3-(4-CHLOROPHENYL)-2,1-BENZOXAZOL-5-YL)PYRIMIDIN-2-AMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
2765355
Created by admin on Sat Dec 16 15:45:10 GMT 2023 , Edited by admin on Sat Dec 16 15:45:10 GMT 2023
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FDA UNII
QJ8ZMA6BSL
Created by admin on Sat Dec 16 15:45:10 GMT 2023 , Edited by admin on Sat Dec 16 15:45:10 GMT 2023
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CAS
477845-12-8
Created by admin on Sat Dec 16 15:45:10 GMT 2023 , Edited by admin on Sat Dec 16 15:45:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID30377550
Created by admin on Sat Dec 16 15:45:10 GMT 2023 , Edited by admin on Sat Dec 16 15:45:10 GMT 2023
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