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Compound Detail

CHEMBL3140035

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CCC[n+]1ccccc1/C=c1\s/c(=C2/Sc3ccccc3N2C)c(=O)n1CC

Basic Information

ChEMBL ID CHEMBL3140035
Phase Preclinical
Structure Type MOL
InChI Key SLTZZMUYRFQNOV-LSDHQDQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
2.76
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N3OS2+
MW 410.59
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine