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Compound Detail

CHEMBL1195014

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COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195014
Phase Preclinical
Structure Type MOL
InChI Key SWPGANDJPMZVFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
4.42
ALogP
11
HBA
1
HBD
137.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N4O7
MW 568.59
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine