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Compound Detail

CHEMBL4302442

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CCC(C)NCC(O)COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302442
Phase Preclinical
Structure Type MOL
InChI Key ZDFONKAUIGOSGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
1.43
ALogP
6
HBA
4
HBD
130.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N3O5S
MW 449.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine