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Compound Detail

CHEMBL346724

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COc1cccc2c1CCN(CC1=NCCN1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346724
Phase Preclinical
Structure Type MOL
InChI Key ICRSKUXDBPFXTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.05
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N3O
MW 245.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine