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Compound Detail

CHEMBL1184276

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N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL1184276
Phase Preclinical
Structure Type MOL
InChI Key CKLCGGQKUDEKPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.0
MW (Da)
5.86
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27ClN2O
MW 418.97
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine