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Compound Detail

CHEMBL1185305

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CCS(=O)(=O)CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185305
Phase Preclinical
Structure Type MOL
InChI Key JAAHCKRSVQLMQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

569.7
MW (Da)
2.22
ALogP
8
HBA
4
HBD
194.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N5O6S2
MW 569.67
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine