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Compound Detail

CHEMBL44607

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)N3CCN(C)CC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL44607
Phase Preclinical
Structure Type MOL
InChI Key HBDVKOOBLBVMMO-QFQGAINVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
2.64
ALogP
10
HBA
1
HBD
93.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N3O7
MW 539.63
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.79

Data from ChEMBL 36 via Core Engine