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Compound Detail

CHEMBL1179603

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CC(=O)CCOCCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179603
Phase Preclinical
Structure Type MOL
InChI Key DJWALAYDSGCBLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
1.34
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O2
MW 196.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine