|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H11BrN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
|
|
chemicalCompound:standardIn... |
DGFNGIZXCZHTQK-BQYQJAHWSA-N
|
|
chemicalCompound:canonicalS... |
Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12
|
|
chemicalCompound:molecularF... |
C17H11BrN2O3
|
|
chemicalCompound:moleculeId |
966795
|
|
chemicalCompound:mwFreebase |
371.185
|
|
chemicalCompound:alogp |
2.78
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
80.47
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.502
|
|
chemicalCompound:acdLogD |
2.502
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
371.185
|
|
chemicalCompound:chemblId |
CHEMBL1542911
|
|
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:3694066,
activity:3732079,
activity:4046719,
activity:4086856,
activity:4151010,
activity:4232090,
activity:4318306,
activity:4381548,
activity:4428228,
activity:4473265,
activity:4504686,
activity:4802869,
activity:5574174,
activity:5654910,
activity:6447350,
activity:6733393,
activity:6777046,
activity:6789597,
activity:6850431,
activity:6862446,
activity:6981340,
activity:7232816,
activity:7362877,
activity:7410651,
activity:9791431,
activity:10426783,
activity:10433527,
activity:10581450
|
