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Compound Detail

CHEMBL4300592

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NCCOCCOCCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300592
Phase Preclinical
Structure Type MOL
InChI Key XZOFVSFUGUSNTB-LREOWRDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.9
MW (Da)
3.31
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClNO5
MW 405.88
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine