AVOTACICLIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key VFVAQKKPFOPZEA-UHFFFAOYSA-N
Smile Nc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1
InChI
InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11N7O
Molecular Weight 281.28
AlogP 0.87
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 136.72
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650328
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