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Compound Detail

CHEMBL4300761

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CCCCCCCCc1ccc(C(=O)CC[C@@H]2C[C@@H](O)CN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300761
Phase Preclinical
Structure Type MOL
InChI Key NBXNHYAMLJLSPV-WOJBJXKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
4.28
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.47
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 C21H33NO2
MW 331.50
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine