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Compound Detail

CHEMBL1188386

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NCCCCN(CCCN)CCCCCNCc1c2ccccc2cc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188386
Phase Preclinical
Structure Type MOL
InChI Key NSKXQWYNPLRETA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
4.64
ALogP
4
HBA
3
HBD
67.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H40N4
MW 420.65
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine