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Compound Detail

CHEMBL138094

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Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCNCC1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138094
Phase Preclinical
Structure Type MOL
InChI Key GTJPLTNQCUVJMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.31
ALogP
4
HBA
2
HBD
44.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28N2O2
MW 304.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.07

Data from ChEMBL 36 via Core Engine