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Compound Detail

CHEMBL4650554

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c1cncc(OC[C@@H]2CC[C@H]3C[C@H]3N2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650554
Phase Preclinical
Structure Type MOL
InChI Key OHKODMIWVVUDGL-JBLDHEPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
1.60
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2O
MW 204.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.58

Data from ChEMBL 36 via Core Engine