|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H10FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-10H
|
|
chemicalCompound:standardIn... |
PYDWRLNPMMKKCI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2nc3sccn3c2c4ccncc4
|
|
chemicalCompound:molecularF... |
C16H10FN3S
|
|
chemicalCompound:moleculeId |
1321799
|
|
chemicalCompound:mwFreebase |
295.334
|
|
chemicalCompound:alogp |
3.25
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
58.43
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.404
|
|
chemicalCompound:acdLogD |
3.404
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
295.334
|
|
chemicalCompound:acdMostBpk... |
4.138
|
|
chemicalCompound:chemblId |
CHEMBL2000508
|
|
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:9507462,
activity:9507982,
activity:9519407,
activity:9520003,
activity:9520217,
activity:9520478,
activity:9520707,
activity:9523743,
activity:9524069,
activity:9528978,
activity:9532578,
activity:9532717,
activity:9532817,
activity:9532920,
activity:9533267,
activity:9535966,
activity:9536220,
activity:9536500,
activity:9539860,
activity:9544804,
activity:9545022,
activity:9545367,
activity:9549312,
activity:9552162,
activity:9552508,
activity:9552734,
activity:9557268,
activity:9557666,
activity:9557806,
activity:9561040,
activity:9565317,
activity:9565711,
activity:9568780,
activity:9570287,
activity:9572153,
activity:9573442,
activity:9574797,
activity:9574879,
activity:9575153,
activity:9575514,
activity:9576152,
activity:9577633,
activity:9578372,
activity:9579611,
activity:9580100,
activity:9581667,
activity:9581762,
activity:9582703,
activity:9583099,
activity:9583664,
activity:9584521,
activity:9584893,
activity:9586661,
activity:9587487,
activity:9587721,
activity:9589105,
activity:9589253,
activity:9589978,
activity:9592290,
activity:9593485,
activity:9594445,
activity:9594762,
activity:9595213,
activity:9595572,
activity:9596329,
activity:9596977,
activity:9597663
|
