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Compound Detail

CHEMBL3967265

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COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3967265
Phase Preclinical
Structure Type MOL
InChI Key JVJSZVIWJDEHTQ-CQJJLBMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.0
MW (Da)
5.35
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33ClO3
MW 392.97
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.89

Data from ChEMBL 36 via Core Engine