|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
|
|
chemicalCompound:standardIn... |
CURUTKGFNZGFSE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
|
|
chemicalCompound:molecularF... |
C19H35NO2
|
|
chemicalCompound:moleculeId |
165774
|
|
chemicalCompound:mwFreebase |
309.487
|
|
chemicalCompound:alogp |
5.105
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
29.54
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.639
|
|
chemicalCompound:acdLogD |
2.819
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
309.487
|
|
chemicalCompound:acdMostBpk... |
9.236
|
|
chemicalCompound:chemblId |
CHEMBL1123
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DICYCLOMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:249974,
activity:249975,
activity:249976,
activity:366792,
activity:366793,
activity:2062755,
activity:2589872,
activity:2589916,
activity:3664113,
activity:3806408,
activity:3913871,
activity:4739142,
activity:4807361,
activity:4809441,
activity:4833438,
activity:4853968,
activity:4965477,
activity:4986188,
activity:5002265,
activity:5010446,
activity:5030853,
activity:5070452,
activity:5070879,
activity:5077286,
activity:5337558,
activity:5507889,
activity:5731952,
activity:5864867,
activity:5978821,
activity:5993116,
activity:5995161,
activity:6006635,
activity:6027467,
activity:6031315,
activity:6036081,
activity:6043038,
activity:6046127,
activity:6049522,
activity:6064368,
activity:6455501,
activity:7332926,
activity:7435533,
activity:7441079,
activity:7457265,
activity:7462893,
activity:7499900,
activity:7503914,
activity:7689722,
activity:7689723,
activity:7689724,
activity:7689725,
activity:7689726,
activity:7689727,
activity:7689728,
activity:7689729,
activity:7689730,
activity:7689731,
activity:7689732,
activity:7689733,
activity:7689734,
activity:7689735,
activity:7689736
|
