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Compound Detail

CHEMBL1204966

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CCCCc1nc(Cl)c(C(=O)OC(C)OC(C)=O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204966
Phase Preclinical
Structure Type MOL
InChI Key VQBBECQRJRWXRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.0
MW (Da)
5.12
ALogP
10
HBA
1
HBD
129.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28ClN7O4
MW 562.03
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine