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Compound Detail

CHEMBL1187420

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COc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OCCO)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187420
Phase Preclinical
Structure Type MOL
InChI Key ZCFKWPLHTSKJQB-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.83
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.61
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 C18H21NO4
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine