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Compound Detail

CHEMBL1193081

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CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193081
Phase Preclinical
Structure Type MOL
InChI Key OWJSVNHNFSCPRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
3.24
ALogP
6
HBA
3
HBD
88.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClNO5
MW 407.89
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine