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Compound Detail

CHEMBL5029049

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Cn1ncc(Br)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5029049
Phase Preclinical
Structure Type MOL
InChI Key RJZZOTSUECKRAH-ORAYPTAESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

527.8
MW (Da)
4.80
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19BrClF3N4O
MW 527.77
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.15

Data from ChEMBL 36 via Core Engine