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Compound Detail

CHEMBL5222748

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COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222748
Phase Preclinical
Structure Type MOL
InChI Key KZNHCKCFCWZONW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.91
ALogP
4
HBA
1
HBD
47.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N2O3+
MW 417.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine