|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
YGEIMSMISRCBFF-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3
|
|
chemicalCompound:molecularF... |
C31H23Cl7N2O
|
|
chemicalCompound:moleculeId |
682655
|
|
chemicalCompound:mwFreebase |
652.245
|
|
chemicalCompound:alogp |
11.512
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
9
|
|
chemicalCompound:psa |
18.04
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.951
|
|
chemicalCompound:acdLogD |
5.951
|
|
chemicalCompound:fullMwt |
687.698
|
|
chemicalCompound:chemblId |
CHEMBL1208858
|
|
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 |
CALMIDAZOLIUM CHLORIDE
|
|
chemicalCompound:activity |
activity:3382104,
activity:3382106,
activity:3472985,
activity:3481325,
activity:3481473,
activity:3481515,
activity:3481566,
activity:3482353,
activity:3482372,
activity:3482422,
activity:3606029,
activity:3634051,
activity:3665861,
activity:3697245,
activity:3699784,
activity:3764812,
activity:3785450,
activity:3806720,
activity:3885293,
activity:3897379,
activity:3941406,
activity:3974235,
activity:3993241,
activity:4065731,
activity:4069672,
activity:4198228,
activity:4279524,
activity:4358774,
activity:4403405,
activity:4441405,
activity:4535211,
activity:4536292,
activity:4539091,
activity:4572565,
activity:4686558,
activity:4727410,
activity:4729797,
activity:4753927,
activity:4929397,
activity:4945883,
activity:4974389,
activity:4988788,
activity:5018875,
activity:5019882,
activity:5065177,
activity:5173871,
activity:5173895,
activity:5173919,
activity:5173943,
activity:5173967,
activity:5173991,
activity:5174015,
activity:5174039,
activity:5174063,
activity:5174087,
activity:5174125,
activity:5175199,
activity:5383347,
activity:5413841,
activity:5421190,
activity:5462629,
activity:5499396,
activity:5505698,
activity:5566798,
activity:5568026,
activity:5570969,
activity:5595666
|
