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Compound Detail

CHEMBL1196912

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CC(=O)Nc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCC2CCCN(C(=N)N)C2)cc1

Basic Information

ChEMBL ID CHEMBL1196912
Phase Preclinical
Structure Type MOL
InChI Key CCNGSKMAMOAYLC-ZTDHTWSHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
2.41
ALogP
5
HBA
5
HBD
157.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O4S
MW 550.69
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine