|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
|
|
chemicalCompound:standardIn... |
CZIHNRWJTSTCEX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)Nc1ccc2c(Cc3ccccc23)c1
|
|
chemicalCompound:molecularF... |
C15H13NO
|
|
chemicalCompound:moleculeId |
134083
|
|
chemicalCompound:mwFreebase |
223.27
|
|
chemicalCompound:alogp |
2.613
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.1
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.264
|
|
chemicalCompound:acdLogD |
3.264
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
223.27
|
|
chemicalCompound:acdMostBpk... |
0.618
|
|
chemicalCompound:chemblId |
CHEMBL311469
|
|
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 |
2-ACETYLAMINOFLUORENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:255569,
activity:255570,
activity:255571,
activity:255572,
activity:255573,
activity:255574,
activity:2459483,
activity:5188739,
activity:5316257,
activity:7638300,
activity:7638301,
activity:7638302,
activity:7638303,
activity:7638304,
activity:7638305,
activity:7638306,
activity:7638307,
activity:7638308,
activity:7638309,
activity:7638310,
activity:7638311,
activity:7638312,
activity:7638313,
activity:7638314,
activity:7638315,
activity:7638316,
activity:7638317,
activity:7638318,
activity:7638319,
activity:7638320,
activity:7638321,
activity:7638322,
activity:7638323,
activity:7638324,
activity:7638325,
activity:7638326,
activity:7638327,
activity:7638328,
activity:7638329,
activity:7638330,
activity:7638331,
activity:7638332,
activity:7638333,
activity:7638334,
activity:7638335,
activity:7638336,
activity:7638337,
activity:7638338,
activity:7638339,
activity:7638340,
activity:7638341,
activity:7638342,
activity:7638343,
activity:7638344,
activity:7638345,
activity:7638346,
activity:7639562,
activity:7639563,
activity:7639564,
activity:7639565,
activity:7639566,
activity:7639567,
activity:7639568,
activity:7639569,
activity:7639570
|
