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Compound Detail

CHEMBL1197066

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CC(=O)O[C@]1(C(C)(C)C)CCN2C[C@H](c3ccccc3Cl)CC[C@@H]2C1

Basic Information

ChEMBL ID CHEMBL1197066
Phase Preclinical
Structure Type MOL
InChI Key PBSYGFJJRVJKBY-CBGDNZLLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.9
MW (Da)
5.03
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30ClNO2
MW 363.93
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine