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Compound Detail

CHEMBL1178278

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CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)O[C@H]1c1cccc(C(=N)N)c1

Basic Information

ChEMBL ID CHEMBL1178278
Phase Preclinical
Structure Type MOL
InChI Key MPIZHZHLXIHDRD-NOZRDPDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
3.34
ALogP
7
HBA
3
HBD
148.8
PSA (Ų)
0.23
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 C27H30N4O5S
MW 522.63
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine