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Compound Detail

CHEMBL3546891

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CCCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546891
Phase Preclinical
Structure Type MOL
InChI Key YWMCKNVEQNOIMV-CMPLNLGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

253.8
MW (Da)
3.58
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20ClNO
MW 253.77
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine