rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C16H12F2N2S/c17-11-5-3-6-12(18)15(11)16-20-8-10-4-1-2-7-13(10)19-14(20)9-21-16/h1-7,16H,8-9H2
|
chemicalCompound:standardIn... |
IGIRSLLURDRTQA-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
Fc1cccc(F)c1C2SCC3=Nc4ccccc4CN23
|
chemicalCompound:molecularF... |
C16H12F2N2S
|
chemicalCompound:moleculeId |
1307846
|
chemicalCompound:mwFreebase |
302.342
|
chemicalCompound:alogp |
3.664
|
chemicalCompound:hba |
3
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
40.9
|
chemicalCompound:rtb |
1
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
4.466
|
chemicalCompound:acdLogD |
3.846
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
302.342
|
chemicalCompound:acdMostBpk... |
7.919
|
chemicalCompound:chemblId |
CHEMBL1986555
|
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:8227315,
activity:8278919,
activity:8348338,
activity:8363554,
activity:8378113,
activity:8402653,
activity:8464445,
activity:8488513,
activity:8553632,
activity:8569249,
activity:8659825,
activity:8705599,
activity:8750030,
activity:8752597,
activity:8838774,
activity:8849964,
activity:8880953,
activity:8948882,
activity:9049224,
activity:9052678,
activity:9145684,
activity:9147856,
activity:9165742,
activity:9265530,
activity:9338330,
activity:9341764,
activity:9414991,
activity:9487026,
activity:9498161,
activity:9571473,
activity:9754170,
activity:9760275,
activity:9774729,
activity:9840767,
activity:9869769,
activity:9941362,
activity:9973857,
activity:10011379,
activity:10022721,
activity:10059266,
activity:10139532,
activity:10150209,
activity:10195082,
activity:10227672,
activity:10259184,
activity:10304324,
activity:10346507,
activity:10421070,
activity:10457638,
activity:10471909,
activity:10573869,
activity:10678078,
activity:10698304,
activity:10771335
|