|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
KFYRPLNVJVHZGT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)CCC=C1c2ccccc2CCc3ccccc13
|
|
chemicalCompound:molecularF... |
C20H24ClN
|
|
chemicalCompound:moleculeId |
674915
|
|
chemicalCompound:mwFreebase |
277.403
|
|
chemicalCompound:alogp |
4.772
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.41
|
|
chemicalCompound:acdLogD |
2.645
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
313.864
|
|
chemicalCompound:acdMostBpk... |
9.179
|
|
chemicalCompound:chemblId |
CHEMBL1200964
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
AMITRIPTYLINE HYDROCHLORIDE
|
|
chemicalCompound:activity |
activity:3473345,
activity:3486796,
activity:3486797,
activity:3486798,
activity:3486799,
activity:3486800,
activity:3486801,
activity:3607869,
activity:3626922,
activity:3635967,
activity:3657977,
activity:3696324,
activity:3698401,
activity:3704408,
activity:3768674,
activity:3773513,
activity:3774746,
activity:3778858,
activity:3894556,
activity:3902786,
activity:3903964,
activity:3919663,
activity:3941367,
activity:3942309,
activity:3951297,
activity:3974104,
activity:4030251,
activity:4069614,
activity:4106334,
activity:4145651,
activity:4279415,
activity:4291414,
activity:4295569,
activity:4327461,
activity:4358674,
activity:4362889,
activity:4411558,
activity:4536185,
activity:4539015,
activity:4567803,
activity:4586699,
activity:4606076,
activity:4659476,
activity:4670732,
activity:4714039,
activity:4723441,
activity:4783622,
activity:4855463,
activity:4865039,
activity:4868852,
activity:4872819,
activity:4874025,
activity:4896369,
activity:4901561,
activity:4902038,
activity:4961304,
activity:4970514,
activity:4976450,
activity:4980606,
activity:5026793,
activity:5068961,
activity:5316274
|
