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Compound Detail

CHEMBL1196434

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Clc1ccc2c(c1Cl)CN(CCCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196434
Phase Preclinical
Structure Type MOL
InChI Key XDERLJUQBNQEEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.3
MW (Da)
6.50
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl4N2
MW 458.26
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine