|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:3859_Haldol solutab_TRADE_NAME,
synonym:3859_Haldol_TRADE_NAME,
synonym:3859_Haloperidol_BAN,
synonym:3859_Haloperidol_FDA_ALTERNATIVE_NAME,
synonym:3859_Haloperidol_INN,
synonym:3859_Haloperidol_JAN,
synonym:3859_Haloperidol_TRADE_NAME,
synonym:3859_Haloperidol_USAN,
synonym:3859_Haloperidol_USP,
synonym:3859_Keselen_TRADE_NAME,
synonym:3859_MCN-JR-1625_RESEARCH_CODE,
synonym:3859_R-1625_RESEARCH_CODE,
synonym:3859_Serenace_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
|
|
chemicalCompound:standardIn... |
LNEPOXFFQSENCJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3
|
|
chemicalCompound:molecularF... |
C21H23ClFNO2
|
|
chemicalCompound:moleculeId |
3859
|
|
chemicalCompound:mwFreebase |
375.864
|
|
chemicalCompound:alogp |
3.887
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
40.54
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.856
|
|
chemicalCompound:acdLogP |
3.757
|
|
chemicalCompound:acdLogD |
2.931
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
375.864
|
|
chemicalCompound:acdMostBpk... |
8.036
|
|
chemicalCompound:chemblId |
CHEMBL54
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
HALOPERIDOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:41207,
activity:41208,
activity:41209,
activity:41210,
activity:41211,
activity:41212,
activity:41213,
activity:41608,
activity:41609,
activity:41610,
activity:46849,
activity:46850,
activity:46851,
activity:46852,
activity:48187,
activity:48188,
activity:58767,
activity:58768,
activity:58769,
activity:58770,
activity:58771,
activity:60994,
activity:60995,
activity:60996,
activity:61851,
activity:61852,
activity:61853,
activity:61854,
activity:61855,
activity:61856,
activity:61857,
activity:68989,
activity:68990,
activity:68991,
activity:69641,
activity:69642,
activity:69643,
activity:69644,
activity:69645,
activity:75406,
activity:75407,
activity:75408,
activity:82687,
activity:82688,
activity:86547,
activity:86548,
activity:86549,
activity:86550,
activity:92429,
activity:92430,
activity:92431
|
