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Compound Detail

CHEMBL1188543

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NCCCCNCCCCNCc1ccc2ccc3cccc4ccc1c2c34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188543
Phase Preclinical
Structure Type MOL
InChI Key XDZROCGDIFXOFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.78
ALogP
3
HBA
3
HBD
50.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3
MW 373.54
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine