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Compound Detail

CHEMBL1193992

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C#CCN(Cc1ccc2nc(N)cc(Cl)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c1

Basic Information

ChEMBL ID CHEMBL1193992
Phase Preclinical
Structure Type MOL
InChI Key MLTFJEQJVPKPTJ-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.9
MW (Da)
3.30
ALogP
6
HBA
4
HBD
145.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClFN4O5
MW 512.93
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine