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Compound Detail

CHEMBL1186091

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C#C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186091
Phase Preclinical
Structure Type MOL
InChI Key KCUIYEZRUPAOPN-CAOSSQGBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.8
MW (Da)
3.54
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18ClN
MW 259.78
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine