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Compound Detail

CHEMBL282761

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CCN(CC)CCN1C(=O)c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3[C@H]2[C@@H](O)[C@H](OC)[C@@H](CO)O[C@H]24)C1=O

Basic Information

ChEMBL ID CHEMBL282761
Phase Preclinical
Structure Type MOL
InChI Key RRUXFHZBXYCPNW-NJIYJJKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

582.7
MW (Da)
3.66
ALogP
9
HBA
2
HBD
109.4
PSA (Ų)
0.28
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 C33H34N4O6
MW 582.66
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness 0.33

Data from ChEMBL 36 via Core Engine