|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
|
|
chemicalCompound:standardIn... |
SOYKEARSMXGVTM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2
|
|
chemicalCompound:molecularF... |
C16H19ClN2
|
|
chemicalCompound:moleculeId |
10358
|
|
chemicalCompound:mwFreebase |
274.788
|
|
chemicalCompound:alogp |
3.696
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
16.13
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.969
|
|
chemicalCompound:acdLogD |
1.035
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
274.788
|
|
chemicalCompound:acdMostBpk... |
9.329
|
|
chemicalCompound:chemblId |
CHEMBL505
|
|
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 |
CHLORPHENIRAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:140863,
activity:140864,
activity:140865,
activity:140866,
activity:140867,
activity:140868,
activity:188863,
activity:188864,
activity:219804,
activity:219805,
activity:221211,
activity:270181,
activity:270182,
activity:308778,
activity:372062,
activity:372063,
activity:372064,
activity:377987,
activity:377988,
activity:448134,
activity:448135,
activity:448136,
activity:476812,
activity:476813,
activity:556209,
activity:556210,
activity:556211,
activity:556212,
activity:556213,
activity:827715,
activity:827716,
activity:827717,
activity:827718,
activity:827719,
activity:827720,
activity:827721,
activity:827722,
activity:827723,
activity:827724,
activity:827725,
activity:840152,
activity:868578,
activity:868579,
activity:868580,
activity:868581,
activity:921212,
activity:921213,
activity:985585,
activity:985586,
activity:1040840,
activity:1071909,
activity:1071910,
activity:1073007,
activity:1073008,
activity:1076109,
activity:1076110
|
