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Compound Detail

CHEMBL2219880

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COc1cc2c3cc1Oc1c(OO)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4

Basic Information

ChEMBL ID CHEMBL2219880
Phase Preclinical
Structure Type MOL
InChI Key SODLLPYGRVMWNH-IZLXSDGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

610.7
MW (Da)
6.70
ALogP
9
HBA
2
HBD
93.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H38N2O7
MW 610.71
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness 2.02

Data from ChEMBL 36 via Core Engine