|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:6216_Chlorpromazine Hibenzate_JAN,
synonym:6216_Chlorpromazine Phenolphthalinate_JAN,
synonym:6216_Chlorpromazine Tannate_JAN,
synonym:6216_Chlorpromazine_BAN,
synonym:6216_Chlorpromazine_FDA_ALTERNATIVE_NAME,
synonym:6216_Chlorpromazine_INN,
synonym:6216_Chlorpromazine_USAN,
synonym:6216_Chlorpromazine_USP,
synonym:6216_Elmarin_TRADE_NAME,
synonym:6216_Largactil_TRADE_NAME,
synonym:6216_Megaphen_TRADE_NAME,
synonym:6216_Sonazine_OTHER,
synonym:6216_Thorazine_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
|
|
chemicalCompound:standardIn... |
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
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|
chemicalCompound:molecularF... |
C17H19ClN2S
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|
chemicalCompound:moleculeId |
6216
|
|
chemicalCompound:mwFreebase |
318.864
|
|
chemicalCompound:alogp |
4.739
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
31.78
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.182
|
|
chemicalCompound:acdLogD |
3.241
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
318.864
|
|
chemicalCompound:acdMostBpk... |
9.408
|
|
chemicalCompound:chemblId |
CHEMBL71
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
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chemicalCompound:oral |
Yes
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|
chemicalCompound:parenteral |
Yes
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|
chemicalCompound:topical |
Yes
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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 |
CHLORPROMAZINE
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chemicalCompound:chebiParen... |
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chemicalCompound:activity |
activity:49598,
activity:61529,
activity:81641,
activity:81642,
activity:103998,
activity:103999,
activity:104000,
activity:124839,
activity:124840,
activity:124841,
activity:124842,
activity:124843,
activity:124844,
activity:141027,
activity:141028,
activity:141029,
activity:141030,
activity:141031,
activity:143817,
activity:143818,
activity:143819,
activity:143820,
activity:191451,
activity:191558,
activity:191559,
activity:191560,
activity:209815,
activity:209816,
activity:209817,
activity:217540,
activity:223790,
activity:223791,
activity:223792,
activity:223793,
activity:296044,
activity:315928,
activity:315929,
activity:315930,
activity:315931,
activity:315932,
activity:315933,
activity:315934,
activity:337408,
activity:358134,
activity:358135,
activity:358136,
activity:358137,
activity:366627,
activity:366628,
activity:366629,
activity:376386,
activity:376387
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