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Compound Detail

CHEMBL97316

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O=C(CCC(=O)N1CCN(C2CCCCCCC2)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97316
Phase Preclinical
Structure Type MOL
InChI Key BLXUBAALBLPPCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.0
MW (Da)
4.56
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.69
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 C22H31ClN2O2
MW 390.96
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine