|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
|
|
chemicalCompound:standardIn... |
RDOIQAHITMMDAJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4
|
|
chemicalCompound:molecularF... |
C29H33ClN2O2
|
|
chemicalCompound:moleculeId |
62259
|
|
chemicalCompound:mwFreebase |
477.038
|
|
chemicalCompound:alogp |
4.635
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
43.78
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.849
|
|
chemicalCompound:acdLogP |
4.146
|
|
chemicalCompound:acdLogD |
3.613
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
477.038
|
|
chemicalCompound:acdMostBpk... |
7.762
|
|
chemicalCompound:chemblId |
CHEMBL841
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
LOPERAMIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:352496,
activity:352497,
activity:641954,
activity:1081318,
activity:1085909,
activity:1254957,
activity:1254958,
activity:1254959,
activity:1254960,
activity:1254961,
activity:1254962,
activity:1254963,
activity:1254964,
activity:1254965,
activity:1254966,
activity:1254967,
activity:1254968,
activity:1254969,
activity:1254970,
activity:1455200,
activity:1455201,
activity:1455202,
activity:1455203,
activity:1469590,
activity:1469591,
activity:1469592,
activity:1469593,
activity:1469594,
activity:1504995,
activity:1513225,
activity:1513226,
activity:2133746,
activity:2133784,
activity:2133792,
activity:2133800,
activity:2133828,
activity:2133848,
activity:2133868,
activity:2133875,
activity:2133881,
activity:2133892,
activity:2133904,
activity:2133905,
activity:2133906,
activity:2133907,
activity:2357262,
activity:2364168,
activity:2364340,
activity:3462550,
activity:3462559,
activity:3462568,
activity:3462577,
activity:3468634,
activity:3615129,
activity:3621574,
activity:3661734,
activity:3753569,
activity:3808986
|
