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Compound Detail

CHEMBL1182196

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COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182196
Phase Preclinical
Structure Type MOL
InChI Key YCHPAWYLSNTMMD-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.54
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO4
MW 419.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine