|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
|
|
chemicalCompound:standardIn... |
COVZYZSDYWQREU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CS(=O)(=O)OCCCCOS(=O)(=O)C
|
|
chemicalCompound:molecularF... |
C6H14O6S2
|
|
chemicalCompound:moleculeId |
56644
|
|
chemicalCompound:mwFreebase |
246.302
|
|
chemicalCompound:alogp |
-0.289
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
103.5
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-0.564
|
|
chemicalCompound:acdLogD |
-0.564
|
|
chemicalCompound:fullMwt |
246.302
|
|
chemicalCompound:chemblId |
CHEMBL820
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BUSULFAN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:903847,
activity:903848,
activity:903849,
activity:903850,
activity:963593,
activity:963594,
activity:963595,
activity:963596,
activity:963597,
activity:963598,
activity:2060236,
activity:2589689,
activity:2615473,
activity:2615474,
activity:2671435,
activity:2671436,
activity:2978199,
activity:2978540,
activity:2978541,
activity:2989629,
activity:2993232,
activity:2993405,
activity:2994680,
activity:2994871,
activity:2994952,
activity:3266968,
activity:3654899,
activity:3725537,
activity:3937289,
activity:4191399,
activity:4467827,
activity:4633258,
activity:4731642,
activity:5080398,
activity:5080895,
activity:5081690,
activity:5082012,
activity:5082103,
activity:5316279,
activity:5316547,
activity:5317155,
activity:5318106,
activity:5319057,
activity:5326092,
activity:5326093,
activity:5326094,
activity:5326095,
activity:5326096,
activity:5326097,
activity:5326098,
activity:5326099,
activity:5326100,
activity:5326101,
activity:5326102,
activity:5326103,
activity:5326104,
activity:5326105
|
