|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
|
|
chemicalCompound:standardIn... |
CWJSHJJYOPWUGX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)OC(=O)Nc1cccc(Cl)c1
|
|
chemicalCompound:molecularF... |
C10H12ClNO2
|
|
chemicalCompound:moleculeId |
172583
|
|
chemicalCompound:mwFreebase |
213.661
|
|
chemicalCompound:alogp |
2.984
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
38.33
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.064
|
|
chemicalCompound:acdLogP |
3.569
|
|
chemicalCompound:acdLogD |
3.569
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
213.661
|
|
chemicalCompound:chemblId |
CHEMBL104560
|
|
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:prefName |
CHLORPROPHAM
|
|
chemicalCompound:activity |
activity:403195,
activity:403196,
activity:403197,
activity:403198,
activity:403199,
activity:403200,
activity:403201,
activity:403202,
activity:3218639,
activity:4454837,
activity:4477062,
activity:4772607,
activity:4814927,
activity:6377511,
activity:7048558,
activity:8247760,
activity:8250880,
activity:8300287,
activity:8306335,
activity:8405573,
activity:8460719,
activity:8489582,
activity:8527762,
activity:8574688,
activity:8639782,
activity:8658546,
activity:8755851,
activity:8776118,
activity:8864532,
activity:8899983,
activity:8906672,
activity:8967750,
activity:9004952,
activity:9044426,
activity:9068343,
activity:9093782,
activity:9126757,
activity:9184882,
activity:9293019,
activity:9352864,
activity:9422405,
activity:9429178,
activity:9438296,
activity:9505539,
activity:9555556,
activity:9675911,
activity:9717266,
activity:9780175,
activity:9819541,
activity:9864106,
activity:9897321,
activity:9931175,
activity:10023581,
activity:10030194,
activity:10064470,
activity:10081742,
activity:10118410,
activity:10164502,
activity:10251102,
activity:10259929,
activity:10275044,
activity:10331905,
activity:10378178,
activity:10441179,
activity:10495171,
activity:10517754
|
