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Compound Detail

CHEMBL2021732

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CCCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021732
Phase Preclinical
Structure Type MOL
InChI Key XKSSRERPTIUPML-VIFPVBQESA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.9
MW (Da)
1.29
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H26ClN6O+
MW 329.86
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine