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Compound Detail

CHEMBL1183994

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CCC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183994
Phase Preclinical
Structure Type MOL
InChI Key YVPZBTSCIXRSNT-ISPFLSOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
0.73
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N3O
MW 221.30
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine