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Compound Detail

CHEMBL4117028

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COC(=O)CC(=O)NCCCNCc1ccc(-c2ccccc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117028
Phase Preclinical
Structure Type MOL
InChI Key MTDVIYKGVPWNHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.9
MW (Da)
3.17
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN2O3
MW 374.87
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine