Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8VSJ573G09

Structure

InChI Key NUQZXROIVGBRGR-SNVBAGLBSA-N
Smile C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H13ClN2O4
Molecular Weight 344.75
AlogP 3.93
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 81.54
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Neuroblastoma 1 D009447 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1741037
EPA CompTox DTXSID80166279
FDA SRS 8VSJ573G09
SureChEMBL SCHEMBL10261981
ZINC ZINC000001539116