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Compound Detail

CHEMBL21402

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C(#Cc1ccccc1)CO/N=C1\CN=CNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL21402
Phase Preclinical
Structure Type MOL
InChI Key FUNMGGAELKEYAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
1.04
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O
MW 227.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
9111297 10.1021/jm960467d Unchecked 1

Data from ChEMBL 36 via Core Engine