|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H8N2S2.BrH/c1-7-5-12-6-8(11-10(12)14-7)9-3-2-4-13-9;/h2-6H,1H3;1H
|
|
chemicalCompound:standardIn... |
NQHHMWYBKLLHDC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Br.Cc1cn2cc(nc2s1)c3cccs3
|
|
chemicalCompound:molecularF... |
C10H9BrN2S2
|
|
chemicalCompound:moleculeId |
1293487
|
|
chemicalCompound:mwFreebase |
220.314
|
|
chemicalCompound:alogp |
2.347
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
73.78
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.027
|
|
chemicalCompound:acdLogD |
2.976
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
301.226
|
|
chemicalCompound:acdMostBpk... |
6.496
|
|
chemicalCompound:chemblId |
CHEMBL1972196
|
|
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:8266596,
activity:8285843,
activity:8335686,
activity:8346432,
activity:8369826,
activity:8458398,
activity:8508939,
activity:8527437,
activity:8542982,
activity:8607841,
activity:8623810,
activity:8688920,
activity:8691371,
activity:8728666,
activity:8740037,
activity:8830433,
activity:8832532,
activity:8879867,
activity:8935312,
activity:9002764,
activity:9032035,
activity:9044164,
activity:9108701,
activity:9128810,
activity:9220303,
activity:9253178,
activity:9254883,
activity:9317314,
activity:9391100,
activity:9393692,
activity:9470403,
activity:9477073,
activity:9559477,
activity:9646098,
activity:9723843,
activity:9752277,
activity:9818065,
activity:9857460,
activity:9898854,
activity:9937914,
activity:9965929,
activity:10007505,
activity:10023088,
activity:10111828,
activity:10122397,
activity:10128980,
activity:10219597,
activity:10313699,
activity:10324833,
activity:10338563,
activity:10362182,
activity:10409109,
activity:10441002,
activity:10529803,
activity:10557622,
activity:10637944,
activity:10643850,
activity:10736112,
activity:10759072,
activity:10812967
|
