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Compound Detail

CHEMBL1193622

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O=C1CN2Cc3c(sc4c3CC(OCc3ccccc3)CC4)N=C2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193622
Phase Preclinical
Structure Type MOL
InChI Key HFLWMMOCPNUSAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.76
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2S
MW 353.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine