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Compound Detail

CHEMBL3039853

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CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039853
Phase Preclinical
Structure Type MOL
InChI Key BINNESFJIHQHPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
3.89
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClNO3
MW 375.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine