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Compound Detail

CHEMBL2219937

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Cc1c2c(cc[n+]1CCc1ccccc1)c1ccc(OCCC(C)C)cc1n2CCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219937
Phase Preclinical
Structure Type MOL
InChI Key GNGXWKIFFZIYQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.7
MW (Da)
7.10
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.24
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 C30H39N2O+
MW 443.66
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine