|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
|
|
chemicalCompound:standardIn... |
JWBOIMRXGHLCPP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl
|
|
chemicalCompound:molecularF... |
C14H10Cl4
|
|
chemicalCompound:moleculeId |
504310
|
|
chemicalCompound:mwFreebase |
320.041
|
|
chemicalCompound:alogp |
5.745
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.413
|
|
chemicalCompound:acdLogD |
5.413
|
|
chemicalCompound:fullMwt |
320.041
|
|
chemicalCompound:chemblId |
CHEMBL1670
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
MITOTANE
|
|
chemicalCompound:activity |
activity:2316906,
activity:2316921,
activity:2316940,
activity:3267000,
activity:3472972,
activity:3664230,
activity:3741126,
activity:3769537,
activity:3806869,
activity:3926312,
activity:3926654,
activity:3931936,
activity:3937958,
activity:3973871,
activity:3974058,
activity:4044382,
activity:4288332,
activity:4543088,
activity:4615907,
activity:4675264,
activity:4750011,
activity:4751505,
activity:4811389,
activity:4835384,
activity:4937922,
activity:5006239,
activity:5074746,
activity:5317599,
activity:5318550,
activity:5319501,
activity:5346410,
activity:5362757,
activity:5399042,
activity:5477988,
activity:5569979,
activity:5572999,
activity:5573757,
activity:5739562,
activity:5743758,
activity:5769218,
activity:5775963,
activity:5779096,
activity:5833479,
activity:5968414,
activity:5973361,
activity:5983095,
activity:6445263,
activity:6446970,
activity:6469758,
activity:6469815,
activity:6551947,
activity:6580933,
activity:6705105,
activity:6742907,
activity:6754239,
activity:6783333,
activity:6788659,
activity:6815974,
activity:6958430,
activity:6962291
|
