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Compound Detail

CHEMBL1207372

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CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NCc1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207372
Phase Preclinical
Structure Type MOL
InChI Key LRCUHVRZXKUPFJ-FQLXRVMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

597.7
MW (Da)
5.86
ALogP
6
HBA
4
HBD
135.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H36FN3O5
MW 597.69
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine