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Compound Detail

CHEMBL5499304

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O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1ccc2c(c1)OCCn1ncc(Cl)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499304
Phase Preclinical
Structure Type MOL
InChI Key XEBULUKGHLMGFH-FXAWDEMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
3.75
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClF2N4O2
MW 458.90
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine