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Compound Detail

CHEMBL1178281

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

Basic Information

ChEMBL ID CHEMBL1178281
Phase Preclinical
Structure Type MOL
InChI Key VNMJDJUMSGRWPP-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
3.09
ALogP
5
HBA
3
HBD
130.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O3S
MW 476.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine