|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C30H20Cl2N2O4/c31-17-8-4-10-19(14-17)33-26(35)22-21-12-13-30(24(22)28(33)37,16-6-2-1-3-7-16)25-23(21)27(36)34(29(25)38)20-11-5-9-18(32)15-20/h1-15,21-25H
|
|
chemicalCompound:standardIn... |
CCBGQADYLXJOKE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1cccc(c1)N2C(=O)C3C4C=CC(C5C4C(=O)N(C5=O)c6cccc(Cl)c6)(C3C2=O)c7ccccc7
|
|
chemicalCompound:molecularF... |
C30H20Cl2N2O4
|
|
chemicalCompound:moleculeId |
833344
|
|
chemicalCompound:mwFreebase |
543.397
|
|
chemicalCompound:alogp |
4.429
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
74.75
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
9.302
|
|
chemicalCompound:acdLogD |
9.302
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
543.397
|
|
chemicalCompound:chemblId |
CHEMBL1409460
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:3621598,
activity:4118229,
activity:4515258,
activity:4948340,
activity:5061633,
activity:5432813,
activity:5697797,
activity:6600145,
activity:7276355,
activity:7334108,
activity:7516101,
activity:10427632
|
