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Compound Detail

CHEMBL125255

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c1cc(CN2CCCNCCNCCNCCC2)cc(CN2CCCNCCNCCNCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125255
Phase Preclinical
Structure Type MOL
InChI Key SMVBZHRMOHHILN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.8
MW (Da)
0.42
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H54N8
MW 502.80
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine