|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H17FN4O.ClH/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13;/h3-8H,9-10H2,1-2H3,(H,19,23);1H
|
|
chemicalCompound:standardIn... |
QVKNNMYMCVOCMI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)CCNC(=O)c1cccc2nc3cccc(F)c3nc12
|
|
chemicalCompound:molecularF... |
C17H18ClFN4O
|
|
chemicalCompound:moleculeId |
1093760
|
|
chemicalCompound:mwFreebase |
312.341
|
|
chemicalCompound:alogp |
2.611
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
58.12
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.213
|
|
chemicalCompound:acdLogP |
2.67
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
348.802
|
|
chemicalCompound:chemblId |
CHEMBL1713029
|
|
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:5393694,
activity:5456173,
activity:6472262,
activity:6554936,
activity:6750264,
activity:6861446,
activity:6866639,
activity:6980272,
activity:6989660,
activity:7067245,
activity:7250172,
activity:7484837,
activity:8231179,
activity:8241620,
activity:8283023,
activity:8301631,
activity:8362610,
activity:8392221,
activity:8460454,
activity:8484895,
activity:8545468,
activity:8569897,
activity:8634765,
activity:8646439,
activity:8713498,
activity:8715395,
activity:8755388,
activity:8766800,
activity:8848569,
activity:8855382,
activity:8890670,
activity:8958587,
activity:8991547,
activity:9059071,
activity:9062186,
activity:9084692,
activity:9126665,
activity:9171299,
activity:9277075,
activity:9279647,
activity:9343736,
activity:9417549,
activity:9420148,
activity:9496546,
activity:9499075,
activity:9509861,
activity:9671358,
activity:9703887,
activity:9746118,
activity:9775580,
activity:9854901,
activity:9883939,
activity:9921955,
activity:10021056,
activity:10025162,
activity:10040701,
activity:10135902,
activity:10155464,
activity:10241926,
activity:10270298,
activity:10272799,
activity:10306668,
activity:10364848,
activity:10388426,
activity:10434729,
activity:10458150,
activity:10485975
|
