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Compound Detail

CHEMBL3747966

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COc1cccc(Cn2cc(CCNC(=N)N)c3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747966
Phase Preclinical
Structure Type MOL
InChI Key NHYYNPVVBHZAHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.72
ALogP
3
HBA
3
HBD
76.1
PSA (Ų)
0.48
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 C19H22N4O
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine