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Compound Detail

CHEMBL1186176

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CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@@H](C(=O)OC)C1)[C@@H]32

Basic Information

ChEMBL ID CHEMBL1186176
Phase Preclinical
Structure Type MOL
InChI Key PGUTWQMRJWQOOX-KDNKFBIHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
2.96
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34N2O2
MW 346.52
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 2.26

Data from ChEMBL 36 via Core Engine