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Compound Detail

CHEMBL1186412

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OC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186412
Phase Preclinical
Structure Type MOL
InChI Key PZQVDLYPNAADGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.9
MW (Da)
3.02
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27ClN2O
MW 322.88
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine