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Compound Detail

CHEMBL1181380

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CCCCCCCc1noc(C2CN=CNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181380
Phase Preclinical
Structure Type MOL
InChI Key ODGLEOJVUFSMBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.30
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22N4O
MW 250.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine