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Compound Detail

CHEMBL1182605

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CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182605
Phase Preclinical
Structure Type MOL
InChI Key SHSKWVYLFNOORS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
4.44
ALogP
2
HBA
2
HBD
34.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N4+
MW 361.51
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine