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Compound Detail

CHEMBL24409

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COc1cc2c(Nc3cc(O)c(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24409
Phase Preclinical
Structure Type MOL
InChI Key HCAUEIOBSYOQPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
4.60
ALogP
7
HBA
2
HBD
79.7
PSA (Ų)
0.57
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 C22H24ClFN4O3
MW 446.91
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine