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Compound Detail

CHEMBL1386524

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CCC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1386524
Phase Preclinical
Structure Type MOL
InChI Key FJQAOLQUFRELET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
2.94
ALogP
9
HBA
1
HBD
119.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N5O5S2
MW 519.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.68

Data from ChEMBL 36 via Core Engine