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Compound Detail

CHEMBL1789731

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CNS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1C(C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789731
Phase Preclinical
Structure Type MOL
InChI Key OATRWXLIZGIISD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.7
MW (Da)
0.91
ALogP
8
HBA
3
HBD
161.8
PSA (Ų)
0.29
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 C25H36N6O6S
MW 548.67
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine