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Compound Detail

CHEMBL1178290

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

Basic Information

ChEMBL ID CHEMBL1178290
Phase Preclinical
Structure Type MOL
InChI Key VXVOMLLAAQVNLR-GOTSBHOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
2.67
ALogP
6
HBA
3
HBD
139.6
PSA (Ų)
0.26
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 C26H28N4O4S
MW 492.60
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine