|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
synonym:545075_DMI_OTHER,
synonym:545075_Desipramine Hydrochloride_JAN,
synonym:545075_Desipramine Hydrochloride_USAN,
synonym:545075_Desipramine Hydrochloride_USP,
synonym:545075_Desipramine hydrochloride_FDA_ALTERNATIVE_NAME,
synonym:545075_Desipramine hydrochloride_TRADE_NAME,
synonym:545075_Desipramine_BAN,
synonym:545075_Desipramine_INN,
synonym:545075_EX-4355_RESEARCH_CODE,
synonym:545075_G-35020_RESEARCH_CODE,
synonym:545075_JB-8181_RESEARCH_CODE,
synonym:545075_Norpramin_TRADE_NAME,
synonym:545075_Pertofrane_TRADE_NAME,
synonym:545075_RMI-9384A_RESEARCH_CODE
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|
chemicalCompound:standardIn... |
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H
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|
chemicalCompound:standardIn... |
XAEWZDYWZHIUCT-UHFFFAOYSA-N
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|
chemicalCompound:canonicalS... |
Cl.CNCCCN1c2ccccc2CCc3ccccc13
|
|
chemicalCompound:molecularF... |
C18H23ClN2
|
|
chemicalCompound:moleculeId |
545075
|
|
chemicalCompound:mwFreebase |
266.381
|
|
chemicalCompound:alogp |
3.851
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
15.27
|
|
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 |
3.972
|
|
chemicalCompound:acdLogD |
1.268
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
302.842
|
|
chemicalCompound:acdMostBpk... |
10.4
|
|
chemicalCompound:chemblId |
CHEMBL1696
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
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 |
No
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chemicalCompound:topical |
No
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|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
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|
chemicalCompound:proDrug |
No
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chemicalCompound:prefName |
DESIPRAMINE HYDROCHLORIDE
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chemicalCompound:chebiParen... |
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|
chemicalCompound:activity |
activity:103157,
activity:103158,
activity:103159,
activity:103160,
activity:103161,
activity:143693,
activity:143694,
activity:143695,
activity:143696,
activity:143697,
activity:143698,
activity:143699,
activity:143700,
activity:143701,
activity:215195,
activity:791665,
activity:3399860,
activity:3399869,
activity:3399878,
activity:3472905,
activity:3481345,
activity:3481348,
activity:3481392,
activity:3481434,
activity:3482319,
activity:3482590,
activity:3482592,
activity:3634970,
activity:3695098,
activity:3777078,
activity:3873558,
activity:3905721,
activity:3940450,
activity:3987960,
activity:4278432,
activity:4358254,
activity:4420177,
activity:4535748,
activity:4537600,
activity:4562861,
activity:4643524,
activity:4651111,
activity:4936577,
activity:4966299,
activity:4985522,
activity:5004888,
activity:5012649,
activity:5020794,
activity:5050756,
activity:5073147
|
