|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
|
|
chemicalCompound:standardIn... |
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNCCC=C1c2ccccc2CCc3ccccc13
|
|
chemicalCompound:molecularF... |
C19H21N
|
|
chemicalCompound:moleculeId |
2262
|
|
chemicalCompound:mwFreebase |
263.377
|
|
chemicalCompound:alogp |
4.236
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.972
|
|
chemicalCompound:acdLogD |
1.488
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
263.377
|
|
chemicalCompound:acdMostBpk... |
10.003
|
|
chemicalCompound:chemblId |
CHEMBL445
|
|
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 |
NORTRIPTYLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:76378,
activity:76379,
activity:92095,
activity:92096,
activity:92097,
activity:92098,
activity:92099,
activity:92100,
activity:92101,
activity:92102,
activity:389668,
activity:389669,
activity:446864,
activity:446865,
activity:446866,
activity:449269,
activity:696553,
activity:696554,
activity:696555,
activity:696556,
activity:696557,
activity:762569,
activity:762570,
activity:762571,
activity:762572,
activity:762573,
activity:762574,
activity:762575,
activity:762576,
activity:762577,
activity:762578,
activity:762579,
activity:762580,
activity:762581,
activity:762582,
activity:838311,
activity:838312,
activity:838313,
activity:838314,
activity:838315,
activity:838316,
activity:838317,
activity:838318,
activity:838319,
activity:838320,
activity:838321,
activity:838322,
activity:838323,
activity:838324,
activity:871050,
activity:871051,
activity:871052,
activity:871053,
activity:1076640,
activity:1088073,
activity:1219418,
activity:1219419,
activity:1219420,
activity:1230546,
activity:1230547,
activity:1230548
|
