|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:27609_Catapres-tts-1_TRADE_NAME,
synonym:27609_Catapres-tts-2_TRADE_NAME,
synonym:27609_Catapres-tts-3_TRADE_NAME,
synonym:27609_Catapres_OTHER,
synonym:27609_Catapres_TRADE_NAME,
synonym:27609_Clonidine_BAN,
synonym:27609_Clonidine_FDA_ALTERNATIVE_NAME,
synonym:27609_Clonidine_INN,
synonym:27609_Clonidine_USAN,
synonym:27609_Clorpres_OTHER,
synonym:27609_Combipres_OTHER,
synonym:27609_Duraclon_OTHER,
synonym:27609_ST-155-BS_RESEARCH_CODE,
synonym:27609_ST-155BS_RESEARCH_CODE
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
|
|
chemicalCompound:standardIn... |
GJSURZIOUXUGAL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1cccc(Cl)c1N=C2NCCN2
|
|
chemicalCompound:molecularF... |
C9H9Cl2N3
|
|
chemicalCompound:moleculeId |
27609
|
|
chemicalCompound:mwFreebase |
230.094
|
|
chemicalCompound:alogp |
2.354
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
36.42
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.524
|
|
chemicalCompound:acdLogD |
0.828
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
230.094
|
|
chemicalCompound:acdMostBpk... |
8.021
|
|
chemicalCompound:chemblId |
CHEMBL134
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CLONIDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1984
|
|
chemicalCompound:activity |
activity:38524,
activity:38525,
activity:38526,
activity:38527,
activity:38528,
activity:38529,
activity:41590,
activity:45694,
activity:87401,
activity:87402,
activity:87403,
activity:87404,
activity:87405,
activity:87406,
activity:139741,
activity:139742,
activity:139743,
activity:139744,
activity:139745,
activity:139746,
activity:156762,
activity:156763,
activity:156764,
activity:156765,
activity:156766,
activity:170409,
activity:170410,
activity:188517,
activity:188518,
activity:188519,
activity:188520,
activity:203998,
activity:203999,
activity:204000,
activity:204001,
activity:204002,
activity:204003,
activity:204004,
activity:207057,
activity:207058,
activity:207059,
activity:209745,
activity:209746,
activity:209747,
activity:209748,
activity:221110,
activity:247546,
activity:286737,
activity:297198,
activity:302915
|
