|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10Cl3NO2S/c16-11-8-4-5-9-12(11)19-15(20)13(17)14(18)22(21)10-6-2-1-3-7-10/h1-9H,(H,19,20)/b14-13-
|
|
chemicalCompound:standardIn... |
QDVKVCVAEINLGA-YPKPFQOOSA-N
|
|
chemicalCompound:canonicalS... |
[O-][S+](\C(=C(/Cl)\C(=O)Nc1ccccc1Cl)\Cl)c2ccccc2
|
|
chemicalCompound:molecularF... |
C15H10Cl3NO2S
|
|
chemicalCompound:moleculeId |
864184
|
|
chemicalCompound:mwFreebase |
374.669
|
|
chemicalCompound:alogp |
4.411
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
65.38
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
-12.254
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
374.669
|
|
chemicalCompound:chemblId |
CHEMBL1440300
|
|
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:3621208,
activity:3755822,
activity:3767062,
activity:3827326,
activity:3855713,
activity:3864930,
activity:3942519,
activity:4036398,
activity:4078912,
activity:4097057,
activity:4142265,
activity:4222965,
activity:4301865,
activity:4338114,
activity:4385802,
activity:4414070,
activity:4434799,
activity:4480070,
activity:4515790,
activity:4713807,
activity:4721537,
activity:4748367,
activity:4790459,
activity:4825134,
activity:4904762,
activity:4933458,
activity:4953348,
activity:4998581,
activity:5392712,
activity:5431055,
activity:5514284,
activity:5571169,
activity:5654403,
activity:5656641,
activity:5800733,
activity:5801147,
activity:5856819,
activity:5861028,
activity:5878713,
activity:5881017,
activity:6426666,
activity:6438080,
activity:6486546,
activity:6592128,
activity:6765464,
activity:6769436,
activity:6801866,
activity:6840113,
activity:6872289,
activity:6901607,
activity:6964218,
activity:7042646,
activity:7110435,
activity:7206288,
activity:7246250,
activity:7310708,
activity:7322906,
activity:7357711,
activity:7431095,
activity:7453965,
activity:7465141,
activity:7490215,
activity:7547726,
activity:8274071,
activity:9791479,
activity:9987465,
activity:10101964,
activity:10263212,
activity:10306498
|
