|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H11NO8S2/c14-11-8-3-1-2-4-9(8)12(15)13(11)7-10-22(16,17)20-5-6-21-23(10,18)19/h1-4,10H,5-7H2
|
|
chemicalCompound:standardIn... |
NMKBJGVPAPIQEU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1N(CC2S(=O)(=O)OCCOS2(=O)=O)C(=O)c3ccccc13
|
|
chemicalCompound:molecularF... |
C12H11NO8S2
|
|
chemicalCompound:moleculeId |
1308810
|
|
chemicalCompound:mwFreebase |
361.348
|
|
chemicalCompound:alogp |
-0.232
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
140.88
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-0.642
|
|
chemicalCompound:acdLogD |
-0.642
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
361.348
|
|
chemicalCompound:chemblId |
CHEMBL1987519
|
|
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:8265470,
activity:8285050,
activity:8334969,
activity:8354436,
activity:8393725,
activity:8435209,
activity:8455616,
activity:8475358,
activity:8544455,
activity:8560102,
activity:8636700,
activity:8692462,
activity:8721354,
activity:8736765,
activity:8739307,
activity:8829767,
activity:8840756,
activity:8871814,
activity:8892363,
activity:8955805,
activity:9006411,
activity:9047964,
activity:9136668,
activity:9138964,
activity:9224110,
activity:9271839,
activity:9325251,
activity:9328735,
activity:9405984,
activity:9478141,
activity:9489306,
activity:9745207,
activity:9751273,
activity:9830021,
activity:9856631,
activity:9898042,
activity:9928225,
activity:9960760,
activity:10002608,
activity:10013949,
activity:10050507,
activity:10130752,
activity:10141208,
activity:10214563,
activity:10252405,
activity:10291426,
activity:10319958,
activity:10333459,
activity:10408257,
activity:10449073,
activity:10529025,
activity:10561086,
activity:10637054,
activity:10656137,
activity:10689361,
activity:10744036,
activity:10762404
|
