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Compound Detail

CHEMBL3913781

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Nc1nc(Cc2ccccc2)nc2nc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3913781
Phase Preclinical
Structure Type MOL
InChI Key LHPVTMAMEMZFIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
1.53
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H11N5
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine