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Compound Detail

CHEMBL1717840

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CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)Cc3ccccc3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1717840
Phase Preclinical
Structure Type MOL
InChI Key LDOHZDOHEXMHJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

541.7
MW (Da)
5.16
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H35N3O3S
MW 541.72
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.37

Data from ChEMBL 36 via Core Engine