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Compound Detail

CHEMBL1181823

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CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181823
Phase Preclinical
Structure Type MOL
InChI Key SMMQBPFFQVLHOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

526.5
MW (Da)
6.24
ALogP
6
HBA
2
HBD
106.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21Cl2N5O2S
MW 526.45
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine