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Compound Detail

CHEMBL1179596

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c1nc(COCCCC2CCCCC2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179596
Phase Preclinical
Structure Type MOL
InChI Key JHAHTVRLUCBZSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22N2O
MW 222.33
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine