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Compound Detail

CHEMBL2365997

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COc1ccc2cc3[n+](cc2c1OC/C=C(\C)CCC=C(C)C)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2365997
Phase Preclinical
Structure Type MOL
InChI Key DSIQAQHHDHVTFF-RGVLZGJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
6.16
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32NO4+
MW 458.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.73

Data from ChEMBL 36 via Core Engine