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Compound Detail

CHEMBL1184018

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CC(C)COCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184018
Phase Preclinical
Structure Type MOL
InChI Key BRDWSYKDGOVQJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
3.46
ALogP
7
HBA
4
HBD
169.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O5S
MW 549.65
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine