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Compound Detail

CHEMBL2220357

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CN(C)C(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1

Basic Information

ChEMBL ID CHEMBL2220357
Phase Preclinical
Structure Type MOL
InChI Key CTBFPKAPHFJHBI-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.0
MW (Da)
3.22
ALogP
7
HBA
1
HBD
89.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29ClN6O2
MW 493.01
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.50

Data from ChEMBL 36 via Core Engine