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Compound Detail

CHEMBL46139

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)CCN3CCCCC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL46139
Phase Preclinical
Structure Type MOL
InChI Key NUESWDDVLSAUMU-ITVIEVEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.7
MW (Da)
3.96
ALogP
9
HBA
1
HBD
89.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H40N2O7
MW 552.67
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 0.52

Data from ChEMBL 36 via Core Engine