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Compound Detail

CHEMBL4117851

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C[n+]1c2ccccc2c(NCCN2CCCCC2)c2oc3ccc(OCC(=O)NCCN4CCCCC4)cc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117851
Phase Preclinical
Structure Type MOL
InChI Key HLYGUFHDCHNTKS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
4.44
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42N5O3+
MW 544.72
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine