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Compound Detail

CHEMBL1348066

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COc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1348066
Phase Preclinical
Structure Type MOL
InChI Key VTSMLBIZEXDQGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.91
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5O
MW 357.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.69

Data from ChEMBL 36 via Core Engine