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Compound Detail

CHEMBL2220121

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Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2cc(Cl)ccc2Cl)c2cc(C(=O)O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220121
Phase Preclinical
Structure Type MOL
InChI Key XYCDPKRMDRYLQU-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.4
MW (Da)
3.87
ALogP
7
HBA
2
HBD
106.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23Cl2N5O3
MW 500.39
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine