|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+
|
|
chemicalCompound:standardIn... |
GKQPCPXONLDCMU-CCEZHUSRSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2\C=C\C(=O)OC(C)(C)C)C(=O)OCC)C
|
|
chemicalCompound:molecularF... |
C26H33NO6
|
|
chemicalCompound:moleculeId |
453548
|
|
chemicalCompound:mwFreebase |
455.543
|
|
chemicalCompound:alogp |
3.824
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
90.93
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
5.988
|
|
chemicalCompound:acdLogD |
5.988
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
455.543
|
|
chemicalCompound:acdMostBpk... |
3.001
|
|
chemicalCompound:chemblId |
CHEMBL460291
|
|
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 |
LACIDIPINE
|
|
chemicalCompound:activity |
activity:2590843,
activity:2590861,
activity:2681651,
activity:2681652,
activity:2681655,
activity:2681656,
activity:2681659,
activity:2681660,
activity:2681663,
activity:2681668,
activity:2681669,
activity:2681672,
activity:2681674,
activity:2682044,
activity:2682045,
activity:2682046,
activity:2682047,
activity:2682049,
activity:3391940,
activity:3391941,
activity:3391942,
activity:3391943,
activity:3391944,
activity:3391945,
activity:3391946,
activity:3391947,
activity:3391948,
activity:3391949,
activity:3391950,
activity:3391951,
activity:3391952,
activity:3391953,
activity:3391954,
activity:3391955,
activity:3559253,
activity:3559256,
activity:7772017,
activity:7772018,
activity:7772019,
activity:7772020,
activity:7772021,
activity:7772022,
activity:7772023,
activity:7772024,
activity:7772025,
activity:7772026,
activity:7772027,
activity:7772028,
activity:7772029,
activity:7772030,
activity:7772031,
activity:7772032,
activity:7772033,
activity:7772034,
activity:7772035,
activity:7772036,
activity:7772037,
activity:7772038,
activity:7772039,
activity:7772040,
activity:7772041,
activity:7772042,
activity:7772043,
activity:7772044,
activity:7772045
|
