|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
|
|
chemicalCompound:standardIn... |
PVHUJELLJLJGLN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C
|
|
chemicalCompound:molecularF... |
C18H20N2O6
|
|
chemicalCompound:moleculeId |
453570
|
|
chemicalCompound:mwFreebase |
360.361
|
|
chemicalCompound:alogp |
2.115
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
110.44
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.807
|
|
chemicalCompound:acdLogD |
3.807
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
360.361
|
|
chemicalCompound:acdMostBpk... |
2.786
|
|
chemicalCompound:chemblId |
CHEMBL475534
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
NITRENDIPINE
|
|
chemicalCompound:activity |
activity:51608,
activity:51609,
activity:81822,
activity:81823,
activity:109959,
activity:109960,
activity:328882,
activity:328883,
activity:328884,
activity:328885,
activity:328886,
activity:328887,
activity:328888,
activity:328889,
activity:328890,
activity:328891,
activity:353405,
activity:353406,
activity:383656,
activity:383657,
activity:424771,
activity:424772,
activity:424773,
activity:554182,
activity:554183,
activity:554184,
activity:703862,
activity:813021,
activity:813022,
activity:832740,
activity:832741,
activity:832742,
activity:841456,
activity:841457,
activity:841458,
activity:841459,
activity:887087,
activity:887088,
activity:887089,
activity:887090,
activity:895710,
activity:895711,
activity:895712,
activity:895713,
activity:895714,
activity:895715,
activity:899788,
activity:924152,
activity:924153,
activity:924154,
activity:924155,
activity:924156,
activity:924157,
activity:986848,
activity:986849,
activity:986850,
activity:986851,
activity:986852,
activity:986853,
activity:986854,
activity:986855,
activity:986856,
activity:986857,
activity:986858,
activity:986859
|
