|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
|
|
chemicalCompound:standardIn... |
DGEZNRSVGBDHLK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1cnc2c(c1)ccc3cccnc23
|
|
chemicalCompound:molecularF... |
C12H8N2
|
|
chemicalCompound:moleculeId |
54715
|
|
chemicalCompound:mwFreebase |
180.205
|
|
chemicalCompound:alogp |
2.202
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
25.78
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.247
|
|
chemicalCompound:acdLogD |
2.244
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
180.205
|
|
chemicalCompound:acdMostBpk... |
5.158
|
|
chemicalCompound:chemblId |
CHEMBL415879
|
|
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 |
PHENANTHROLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:55615,
activity:88648,
activity:88649,
activity:88650,
activity:338897,
activity:1811193,
activity:1811194,
activity:1811215,
activity:1811216,
activity:2069405,
activity:2069409,
activity:2069413,
activity:2575116,
activity:3074953,
activity:3207862,
activity:3533997,
activity:3534000,
activity:3607830,
activity:3635093,
activity:3637064,
activity:3651080,
activity:3657955,
activity:3671840,
activity:3684407,
activity:3695239,
activity:3698383,
activity:3724658,
activity:3724997,
activity:3762070,
activity:3764209,
activity:3768661,
activity:3769460,
activity:3772671,
activity:3774728,
activity:3775274,
activity:3778286,
activity:3778839,
activity:3806507,
activity:3863785,
activity:3869298,
activity:3877918,
activity:3893497,
activity:3894541,
activity:3902760,
activity:3903946,
activity:3915390,
activity:3919130,
activity:3919474,
activity:3919640,
activity:3928121,
activity:3935800,
activity:3940510,
activity:3941840,
activity:3942293,
activity:3951278,
activity:3951594,
activity:3988152,
activity:4008961,
activity:4029164,
activity:4045686,
activity:4057135,
activity:4076109,
activity:4078743,
activity:4084756
|
