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Compound Detail

CHEMBL4595970

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CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595970
Phase Preclinical
Structure Type MOL
InChI Key YKCROHAUAFLVCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
6.88
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33F3N2O
MW 482.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine