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Compound Detail

CHEMBL1196120

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CC(C)(C)c1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196120
Phase Preclinical
Structure Type MOL
InChI Key CSTCXYFZARVQDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
4.68
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31NO
MW 313.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine