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Compound Detail

CHEMBL1191227

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CCCCCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191227
Phase Preclinical
Structure Type MOL
InChI Key FKJWRLPGIKDCNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
6.15
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39NO2
MW 397.60
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine