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Compound Detail

CHEMBL1186818

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CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186818
Phase Preclinical
Structure Type MOL
InChI Key BVILZNWGKAMWOI-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.7
MW (Da)
3.96
ALogP
6
HBA
3
HBD
108.4
PSA (Ų)
0.36
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 C28H33N3O4S
MW 507.66
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine