|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H10Cl2N2OS/c13-7-11(17)15-12-16(5-6-18-12)8-9-3-1-2-4-10(9)14/h1-6H,7-8H2
|
|
chemicalCompound:standardIn... |
PYEWRVJBQXWXNV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClCC(=O)N=C1SC=CN1Cc2ccccc2Cl
|
|
chemicalCompound:molecularF... |
C12H10Cl2N2OS
|
|
chemicalCompound:moleculeId |
911695
|
|
chemicalCompound:mwFreebase |
301.192
|
|
chemicalCompound:alogp |
2.827
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
57.97
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.982
|
|
chemicalCompound:acdLogD |
2.982
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
301.192
|
|
chemicalCompound:chemblId |
CHEMBL1487811
|
|
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:3802439,
activity:3835902,
activity:3942629,
activity:3986987,
activity:4069942,
activity:4744042,
activity:4754083,
activity:4763378,
activity:4789630,
activity:4811460,
activity:4839502,
activity:4998824,
activity:5562865,
activity:5563864,
activity:5580621,
activity:5665424,
activity:5862880,
activity:5889429,
activity:5960694,
activity:6556099,
activity:6653632,
activity:6726003,
activity:6831092,
activity:7049008,
activity:7162312,
activity:7272680,
activity:7330458,
activity:7443419,
activity:7509094
|
