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Compound Detail

CHEMBL1618562

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O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc3ccccc3c2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618562
Phase Preclinical
Structure Type MOL
InChI Key UJQXWGMGODQGES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.3
MW (Da)
5.51
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21Cl2NO2
MW 414.33
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine