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Compound Detail

CHEMBL5222260

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COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)c4ccccc34)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222260
Phase Preclinical
Structure Type MOL
InChI Key LOGDMORMNOFVRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
5.61
ALogP
3
HBA
0
HBD
27.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29N2O2+
MW 437.56
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine