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Compound Detail

CHEMBL4597086

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Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597086
Phase Preclinical
Structure Type MOL
InChI Key LRZDVAKECFLJMA-JKSUJKDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
3.68
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN4OS
MW 400.94
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine