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Compound Detail

CHEMBL3719090

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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccsc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3719090
Phase Preclinical
Structure Type MOL
InChI Key QNKKPFZLPKBJKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
4.03
ALogP
7
HBA
2
HBD
96.3
PSA (Ų)
0.66
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 C20H20N4O2S
MW 380.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine