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Compound Detail

CHEMBL1179654

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N=C(N)c1cccc(C2=NOC(Cn3ncnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179654
Phase Preclinical
Structure Type MOL
InChI Key MSQXYLXRTPWVQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
1.47
ALogP
10
HBA
4
HBD
204.3
PSA (Ų)
0.19
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 C25H23N9O4S
MW 545.59
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine