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Compound Detail

CHEMBL3213414

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COc1ccc(/C=N/N=C/c2cnc(O)c(C#N)c2Nc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3213414
Phase Preclinical
Structure Type MOL
InChI Key JZQRZRCNWGOGGU-OEIKEGJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.86
ALogP
7
HBA
2
HBD
102.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N5O2
MW 371.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine