|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C32H23F2OP/c33-26-20-21-30(31(34)22-26)24-16-18-25(19-17-24)32(35)23-36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H
|
|
chemicalCompound:standardIn... |
YWKBQJDRPHVPBC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(c(F)c1)c2ccc(cc2)C(=O)C=P(c3ccccc3)(c4ccccc4)c5ccccc5
|
|
chemicalCompound:molecularF... |
C32H23F2OP
|
|
chemicalCompound:moleculeId |
1306625
|
|
chemicalCompound:mwFreebase |
492.495
|
|
chemicalCompound:alogp |
8.357
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.88
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
7.27
|
|
chemicalCompound:acdLogD |
7.27
|
|
chemicalCompound:fullMwt |
492.495
|
|
chemicalCompound:chemblId |
CHEMBL1985334
|
|
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:8238783,
activity:8262874,
activity:8316764,
activity:8332067,
activity:8375963,
activity:8413161,
activity:8442233,
activity:8457470,
activity:8522002,
activity:8541948,
activity:8612161,
activity:8618559,
activity:8703636,
activity:8785742,
activity:8788223,
activity:8816065,
activity:8818198,
activity:8920961,
activity:8960356,
activity:8988571,
activity:9030126,
activity:9114603,
activity:9121256,
activity:9201653,
activity:9234511,
activity:9303112,
activity:9310791,
activity:9384002,
activity:9456383,
activity:9467599,
activity:9723225,
activity:9729149,
activity:9876004,
activity:9905018,
activity:9910352,
activity:9938716,
activity:9989363,
activity:10000629,
activity:10097936,
activity:10119169,
activity:10187937,
activity:10192541,
activity:10234549,
activity:10269644,
activity:10306782,
activity:10436250,
activity:10455076,
activity:10511191,
activity:10539850,
activity:10615367,
activity:10638781,
activity:10721981,
activity:10742119,
activity:10810238
|
