|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
|
|
chemicalCompound:standardIn... |
UBPYILGKFZZVDX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
|
|
chemicalCompound:molecularF... |
C26H29Cl2N5O3
|
|
chemicalCompound:moleculeId |
62111
|
|
chemicalCompound:mwFreebase |
530.446
|
|
chemicalCompound:alogp |
4.883
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
82.88
|
|
chemicalCompound:rtb |
9
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.125
|
|
chemicalCompound:acdLogD |
2.575
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
530.446
|
|
chemicalCompound:acdMostBpk... |
7.634
|
|
chemicalCompound:chemblId |
CHEMBL288441
|
|
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 |
BOSUTINIB
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:76679,
activity:76680,
activity:148596,
activity:148597,
activity:207390,
activity:207391,
activity:381359,
activity:381360,
activity:381361,
activity:381362,
activity:381363,
activity:381364,
activity:381365,
activity:381366,
activity:381367,
activity:463684,
activity:463685,
activity:463686,
activity:463687,
activity:463688,
activity:1056887,
activity:1056888,
activity:1056889,
activity:1249949,
activity:1249950,
activity:1428249,
activity:1428250,
activity:1511358,
activity:1511359,
activity:1511360,
activity:1511361,
activity:1511362,
activity:1600029,
activity:1600030,
activity:1600031,
activity:1607516,
activity:1607517,
activity:1607518,
activity:1615493,
activity:1615494,
activity:1762498,
activity:1767519,
activity:1767520,
activity:1767521,
activity:1767522,
activity:1767523,
activity:1767524,
activity:1767602,
activity:1767604,
activity:1800127,
activity:1800159,
activity:2130097,
activity:2130126,
activity:2130127,
activity:2130129,
activity:2348683,
activity:2348718,
activity:2348719,
activity:2348720,
activity:2348721,
activity:2348722,
activity:2348723
|
