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Compound Detail

CHEMBL2220248

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CCCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220248
Phase Preclinical
Structure Type MOL
InChI Key NZPQBVNKTIBCLH-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.0
MW (Da)
4.39
ALogP
6
HBA
1
HBD
69.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClN5O
MW 449.99
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine