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Compound Detail

CHEMBL5028726

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CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028726
Phase Preclinical
Structure Type MOL
InChI Key XCSFSBNWHMURLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
3.92
ALogP
4
HBA
4
HBD
85.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN2O3
MW 400.91
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine