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Compound Detail

CHEMBL4743840

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C=CC(=O)Nc1cccc(C(=O)Nc2ncc(N3CCC(N(C)C)CC3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743840
Phase Preclinical
Structure Type MOL
InChI Key RRPYRSMWUNOMAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.05
ALogP
6
HBA
2
HBD
77.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N5O2S
MW 399.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.66

Data from ChEMBL 36 via Core Engine