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Compound Detail

CHEMBL1194617

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Cc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)C(=O)NCC3CCCN(C(=N)N)C3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1194617
Phase Preclinical
Structure Type MOL
InChI Key ZROORJUSMMTWTA-LDCRUHPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

662.8
MW (Da)
3.56
ALogP
6
HBA
5
HBD
174.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H38N6O5S2
MW 662.84
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine