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Compound Detail

CHEMBL5499239

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O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1ncc(Cl)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499239
Phase Preclinical
Structure Type MOL
InChI Key KXQPBSLMZVNGEV-MAUKXSAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.0
MW (Da)
4.23
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClFN4OS
MW 444.96
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine