|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
|
|
chemicalCompound:standardIn... |
FMMWHPNWAFZXNH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
|
|
chemicalCompound:molecularF... |
C20H12
|
|
chemicalCompound:moleculeId |
43687
|
|
chemicalCompound:mwFreebase |
252.309
|
|
chemicalCompound:alogp |
4.853
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.188
|
|
chemicalCompound:acdLogD |
6.188
|
|
chemicalCompound:fullMwt |
252.309
|
|
chemicalCompound:chemblId |
CHEMBL31184
|
|
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 |
BENZO[DEF]CHRYSENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:128667,
activity:649445,
activity:649446,
activity:689256,
activity:689257,
activity:689258,
activity:689259,
activity:1425127,
activity:1425128,
activity:1425129,
activity:1425130,
activity:1425131,
activity:1425132,
activity:1425133,
activity:1425134,
activity:1425135,
activity:1425136,
activity:1425137,
activity:1425138,
activity:1425139,
activity:1425140,
activity:1425141,
activity:3112364,
activity:3202796,
activity:3202797,
activity:3202798,
activity:3202799,
activity:5376438,
activity:5451508,
activity:6478822,
activity:6645313,
activity:6755317,
activity:6862137,
activity:6909835,
activity:7237974,
activity:7300177,
activity:7602239,
activity:7602240,
activity:7602241,
activity:7602242,
activity:7602243,
activity:7602244,
activity:7602245,
activity:7602246,
activity:7602247,
activity:7602248,
activity:7602249,
activity:7602250,
activity:7602251,
activity:7602252,
activity:7602253,
activity:7602254,
activity:7602255,
activity:7602256,
activity:7602257,
activity:7602258,
activity:7602259,
activity:7602260,
activity:7602261,
activity:7602262,
activity:7602263,
activity:7602264,
activity:7602265,
activity:7602266,
activity:7602267,
activity:7602268,
activity:7602269
|
