|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H23NO3/c1-6(2)18(7(3)4)14(19)16-8-11-9(16)13-10(16)12(8)17(11,13)15(20)21-5/h6-13H,1-5H3
|
|
chemicalCompound:standardIn... |
KFBVQERYTLADNP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)C12C3C4C1C5C2C3C45C(=O)N(C(C)C)C(C)C
|
|
chemicalCompound:molecularF... |
C17H23NO3
|
|
chemicalCompound:moleculeId |
1310310
|
|
chemicalCompound:mwFreebase |
289.369
|
|
chemicalCompound:alogp |
0.689
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
46.61
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.626
|
|
chemicalCompound:acdLogD |
1.626
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
289.369
|
|
chemicalCompound:chemblId |
CHEMBL1989019
|
|
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:activity |
activity:8254023,
activity:8303606,
activity:8318763,
activity:8404655,
activity:8424795,
activity:8439988,
activity:8524262,
activity:8580621,
activity:8600941,
activity:8657491,
activity:8681956,
activity:8772565,
activity:8775173,
activity:8809238,
activity:8907830,
activity:8928415,
activity:8971324,
activity:9042780,
activity:9076261,
activity:9099331,
activity:9101570,
activity:9172730,
activity:9192692,
activity:9236700,
activity:9292008,
activity:9297646,
activity:9360522,
activity:9443557,
activity:9651875,
activity:9705840,
activity:9716277,
activity:9796088,
activity:9867273,
activity:9896246,
activity:9929938,
activity:9967803,
activity:10085043,
activity:10105437,
activity:10108832,
activity:10176610,
activity:10254196,
activity:10261065,
activity:10372804,
activity:10446535,
activity:10456767,
activity:10498319,
activity:10510379,
activity:10572067,
activity:10595426,
activity:10606810,
activity:10621706,
activity:10704561,
activity:10797455
|
