|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
|
|
chemicalCompound:standardIn... |
YCOYDOIWSSHVCK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1
|
|
chemicalCompound:molecularF... |
C20H15ClN4
|
|
chemicalCompound:moleculeId |
165012
|
|
chemicalCompound:mwFreebase |
346.813
|
|
chemicalCompound:alogp |
4.705
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
50.7
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.146
|
|
chemicalCompound:acdLogD |
3.141
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
346.813
|
|
chemicalCompound:acdMostBpk... |
5.456
|
|
chemicalCompound:chemblId |
CHEMBL101253
|
|
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:prefName |
VATALANIB
|
|
chemicalCompound:activity |
activity:1070524,
activity:1070525,
activity:1070526,
activity:1070527,
activity:1070528,
activity:1070529,
activity:1070530,
activity:1070531,
activity:1070532,
activity:1496129,
activity:1496130,
activity:1496131,
activity:1516649,
activity:1516650,
activity:1516651,
activity:1650002,
activity:1650011,
activity:1650020,
activity:1650029,
activity:1650038,
activity:1650047,
activity:1650056,
activity:1650065,
activity:1650074,
activity:1650083,
activity:1650092,
activity:1650101,
activity:1650110,
activity:1650119,
activity:1650128,
activity:1650137,
activity:1650146,
activity:1650155,
activity:1650164,
activity:1650173,
activity:1650182,
activity:1650191,
activity:1650200,
activity:1650209,
activity:1650218,
activity:1650227,
activity:1650236,
activity:1650245,
activity:1650254,
activity:1650263,
activity:1650272,
activity:1650281,
activity:1650290,
activity:1650299,
activity:1650308,
activity:1650317,
activity:1650326,
activity:1650335,
activity:1650344,
activity:1650353,
activity:1650362,
activity:1650371,
activity:1650380,
activity:1650389,
activity:1650398,
activity:1650407,
activity:1650416,
activity:1650425,
activity:1650434
|
