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Compound Detail

CHEMBL1180591

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Oc1ccc2c(c1)O[C@@H](CNCCCCc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180591
Phase Preclinical
Structure Type MOL
InChI Key FIKHCMJSJBBEJM-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.70
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25NO2
MW 311.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine