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Compound Detail

CHEMBL1181142

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Cc1nc(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181142
Phase Preclinical
Structure Type MOL
InChI Key CEPPRMSISLCFFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
3.97
ALogP
6
HBA
4
HBD
152.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N5O3S2
MW 491.60
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine