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Compound Detail

CHEMBL287536

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Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287536
Phase Preclinical
Structure Type MOL
InChI Key UDHUHXGTBDSKKF-LFVJCYFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
4.21
ALogP
2
HBA
0
HBD
29.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21Cl2N3O+2
MW 402.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine