|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
|
|
chemicalCompound:standardIn... |
VKQFCGNPDRICFG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCC(C)C)C
|
|
chemicalCompound:molecularF... |
C20H24N2O6
|
|
chemicalCompound:moleculeId |
554892
|
|
chemicalCompound:mwFreebase |
388.414
|
|
chemicalCompound:alogp |
2.958
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
110.45
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.955
|
|
chemicalCompound:acdLogD |
4.955
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
388.414
|
|
chemicalCompound:acdMostBpk... |
2.669
|
|
chemicalCompound:chemblId |
CHEMBL1726
|
|
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 |
NISOLDIPINE
|
|
chemicalCompound:firstAppro... |
1990
|
|
chemicalCompound:activity |
activity:370881,
activity:370882,
activity:881749,
activity:1045357,
activity:1045358,
activity:1045359,
activity:1045360,
activity:1449645,
activity:2672158,
activity:2672159,
activity:2979836,
activity:2981051,
activity:2981052,
activity:2990399,
activity:2990455,
activity:2990524,
activity:2990681,
activity:2991982,
activity:2994856,
activity:3265078,
activity:3647275,
activity:4095734,
activity:4384256,
activity:4801509,
activity:5079949,
activity:5080334,
activity:5080731,
activity:5081087,
activity:5081814,
activity:5082428,
activity:5082542,
activity:5082976,
activity:5083196,
activity:5316368,
activity:5316705,
activity:5317650,
activity:5318601,
activity:5319552,
activity:5320221,
activity:5320222,
activity:5320223,
activity:5320224,
activity:5320225,
activity:5320226,
activity:5320227,
activity:5320228,
activity:5320229,
activity:5320230,
activity:5320231,
activity:5320232,
activity:5320233,
activity:5320234,
activity:5320235,
activity:5320236,
activity:5320237,
activity:5320238,
activity:5744178,
activity:6074529
|
