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Compound Detail

CHEMBL3545654

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CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545654
Phase Preclinical
Structure Type MOL
InChI Key DHMFMXCEAPAUNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.7
MW (Da)
4.45
ALogP
7
HBA
1
HBD
92.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36N6O3
MW 540.67
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.80

Data from ChEMBL 36 via Core Engine