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Compound Detail

CHEMBL1186977

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CCCN(CCC)c1ccc2nc3ccc(N4CCCC4)cc3[o+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186977
Phase Preclinical
Structure Type MOL
InChI Key QMLGCIRAIQSRMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
5.49
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N3O+
MW 350.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine