|
rdf:type |
|
|
chemicalCompound:parent |
|
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chemicalCompound:synonym |
synonym:543658_Imipramine Hydrochloride_JAN,
synonym:543658_Imipramine Hydrochloride_USAN,
synonym:543658_Imipramine Hydrochloride_USP,
synonym:543658_Imipramine hydrochloride_FDA_ALTERNATIVE_NAME,
synonym:543658_Imipramine hydrochloride_TRADE_NAME,
synonym:543658_Imipramine_BAN,
synonym:543658_Imipramine_INN,
synonym:543658_Janimine_TRADE_NAME,
synonym:543658_Pramine_TRADE_NAME,
synonym:543658_Presamine_TRADE_NAME,
synonym:543658_Tofranil_TRADE_NAME
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|
chemicalCompound:standardIn... |
InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
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|
chemicalCompound:standardIn... |
XZZXIYZZBJDEEP-UHFFFAOYSA-N
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chemicalCompound:canonicalS... |
Cl.CN(C)CCCN1c2ccccc2CCc3ccccc13
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chemicalCompound:molecularF... |
C19H25ClN2
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chemicalCompound:moleculeId |
543658
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chemicalCompound:mwFreebase |
280.407
|
|
chemicalCompound:alogp |
4.387
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|
chemicalCompound:hba |
2
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|
chemicalCompound:hbd |
0
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|
chemicalCompound:psa |
6.48
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|
chemicalCompound:rtb |
4
|
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chemicalCompound:ro3Pass |
N
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chemicalCompound:numRo5viol... |
0
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chemicalCompound:medChemFri... |
Y
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chemicalCompound:acdLogP |
4.355
|
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chemicalCompound:acdLogD |
2.345
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chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.868
|
|
chemicalCompound:acdMostBpk... |
9.488
|
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chemicalCompound:chemblId |
CHEMBL1692
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
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chemicalCompound:dosedIngre... |
Yes
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chemicalCompound:structureT... |
|
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chemicalCompound:chebi |
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chemicalCompound:moleculeTy... |
|
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chemicalCompound:oral |
Yes
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chemicalCompound:parenteral |
Yes
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chemicalCompound:topical |
No
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chemicalCompound:blackBoxWa... |
No
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chemicalCompound:naturalPro... |
No
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chemicalCompound:proDrug |
No
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chemicalCompound:prefName |
IMIPRAMINE HYDROCHLORIDE
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chemicalCompound:chebiParen... |
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chemicalCompound:activity |
activity:98180,
activity:98181,
activity:98182,
activity:98183,
activity:98184,
activity:299224,
activity:299225,
activity:299226,
activity:299227,
activity:817321,
activity:914867,
activity:914868,
activity:914869,
activity:3486928,
activity:3486929,
activity:3486930,
activity:3486931,
activity:3486932,
activity:3486933,
activity:3492289,
activity:3635023,
activity:3643902,
activity:3695106,
activity:3722030,
activity:3874492,
activity:3894174,
activity:3940454,
activity:3987969,
activity:4032815,
activity:4278440,
activity:4358259,
activity:4535757,
activity:4537608,
activity:4836261,
activity:4966307,
activity:5316228,
activity:5316648,
activity:5335808,
activity:5571029,
activity:5630984,
activity:5744248,
activity:5756077,
activity:5858016,
activity:5866957,
activity:5875894,
activity:5983428,
activity:6581018,
activity:6588301,
activity:6742916,
activity:6816423,
activity:6962300,
activity:7005192,
activity:7026203
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