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Compound Detail

CHEMBL1189304

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCCc3cccn3C)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL1189304
Phase Preclinical
Structure Type MOL
InChI Key SUFVZPCCHPQHID-GPFDMERGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
3.24
ALogP
9
HBA
2
HBD
117.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32N2O8
MW 548.59
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.56

Data from ChEMBL 36 via Core Engine