|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H
|
|
chemicalCompound:standardIn... |
XWIHRGFIPXWGEF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2
|
|
chemicalCompound:molecularF... |
C21H28ClNO3
|
|
chemicalCompound:moleculeId |
675014
|
|
chemicalCompound:mwFreebase |
341.444
|
|
chemicalCompound:alogp |
3.673
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
58.56
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.823
|
|
chemicalCompound:acdLogP |
3.351
|
|
chemicalCompound:acdLogD |
1.369
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
377.905
|
|
chemicalCompound:acdMostBpk... |
9.307
|
|
chemicalCompound:chemblId |
CHEMBL1201063
|
|
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... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PROPAFENONE HYDROCHLORIDE
|
|
chemicalCompound:firstAppro... |
1989
|
|
chemicalCompound:activity |
activity:3473161,
activity:3480653,
activity:3480654,
activity:3480655,
activity:3480656,
activity:3480657,
activity:3480658,
activity:3480659,
activity:3482644,
activity:3483428,
activity:3483509,
activity:3483590,
activity:3483670,
activity:3483751,
activity:3483832,
activity:3634093,
activity:3695024,
activity:3773964,
activity:3780209,
activity:3873979,
activity:3940421,
activity:3987105,
activity:4278339,
activity:4358171,
activity:4535665,
activity:4537538,
activity:4540500,
activity:4962376,
activity:5001931,
activity:5070501,
activity:5316166,
activity:5316743,
activity:5625312,
activity:5689078,
activity:5855559,
activity:5867435,
activity:5874960,
activity:6436255,
activity:6643282,
activity:6715116,
activity:6797080,
activity:7005014,
activity:7278720,
activity:7315842,
activity:7451293,
activity:7458816,
activity:7478362,
activity:7499524,
activity:7514265,
activity:7518223,
activity:7518907,
activity:7522912
|
