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Compound Detail

CHEMBL1186040

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CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186040
Phase Preclinical
Structure Type MOL
InChI Key KIBRFGHODPOHEM-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.7
MW (Da)
3.60
ALogP
8
HBA
4
HBD
143.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N4O5S
MW 552.70
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine