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Compound Detail

CHEMBL1183992

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COCC1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183992
Phase Preclinical
Structure Type MOL
InChI Key JQGBWYNJNSRMPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
1.22
ALogP
9
HBA
4
HBD
195.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7O5S
MW 509.55
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine