|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12NO4PS/c1-13-10(12)11(9-5-3-2-4-6-9)16(17)14-7-8-15-16/h2-6H,7-8H2,1H3
|
|
chemicalCompound:standardIn... |
WKWZHIHNTHACQQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)N(c1ccccc1)P2(=S)OCCO2
|
|
chemicalCompound:molecularF... |
C10H12NO4PS
|
|
chemicalCompound:moleculeId |
763199
|
|
chemicalCompound:mwFreebase |
273.245
|
|
chemicalCompound:alogp |
2.115
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
89.9
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.488
|
|
chemicalCompound:acdLogD |
3.488
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
273.245
|
|
chemicalCompound:chemblId |
CHEMBL1339315
|
|
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:4009291,
activity:4130897,
activity:4358995,
activity:4412247,
activity:4443960,
activity:4512202,
activity:4603911,
activity:4799780,
activity:4821141,
activity:4904504,
activity:5354875,
activity:5683218,
activity:5796628,
activity:6429114,
activity:6581194,
activity:6740997,
activity:6862533,
activity:7366630
|
