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Compound Detail

CHEMBL1191874

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C#C/C(C)=C\COC(=O)C1CN=CNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191874
Phase Preclinical
Structure Type MOL
InChI Key PBPSOMFALSXIFM-WTKPLQERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
0.36
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.54
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 C11H14N2O2
MW 206.24
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.74

Data from ChEMBL 36 via Core Engine