|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
|
|
chemicalCompound:standardIn... |
UIAGMCDKSXEBJQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C
|
|
chemicalCompound:molecularF... |
C21H26N2O7
|
|
chemicalCompound:moleculeId |
365248
|
|
chemicalCompound:mwFreebase |
418.44
|
|
chemicalCompound:alogp |
2.361
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
119.68
|
|
chemicalCompound:rtb |
10
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.046
|
|
chemicalCompound:acdLogD |
4.045
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
418.44
|
|
chemicalCompound:acdMostBpk... |
2.768
|
|
chemicalCompound:chemblId |
CHEMBL1428
|
|
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 |
NIMODIPINE
|
|
chemicalCompound:firstAppro... |
1985
|
|
chemicalCompound:activity |
activity:35687,
activity:35688,
activity:794175,
activity:794176,
activity:794177,
activity:794178,
activity:794179,
activity:794180,
activity:794181,
activity:794182,
activity:794183,
activity:794184,
activity:862113,
activity:862114,
activity:862115,
activity:865244,
activity:865245,
activity:865246,
activity:865247,
activity:871030,
activity:871031,
activity:871032,
activity:871033,
activity:899789,
activity:1055014,
activity:1055015,
activity:1055016,
activity:1055017,
activity:1090294,
activity:1798850,
activity:1798862,
activity:1798872,
activity:1798884,
activity:1798895,
activity:2059974,
activity:2205608,
activity:2205628,
activity:2205629,
activity:2205668,
activity:2205669,
activity:2528905,
activity:2528921,
activity:2530032,
activity:2567579,
activity:2567582,
activity:2567588,
activity:2567596,
activity:2567602,
activity:2591765,
activity:2672156,
activity:2672157,
activity:2978323,
activity:2981049,
activity:2981050,
activity:2990398,
activity:2990492,
activity:2990665,
activity:2991981
|
