|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
|
|
chemicalCompound:standardIn... |
ATQMRMGXINTJHV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCC2(CC1)COc3cc4CCN(C(=O)c5ccc(cc5)c6ccc(cc6C)c7noc(C)n7)c4cc23
|
|
chemicalCompound:molecularF... |
C32H32N4O3
|
|
chemicalCompound:moleculeId |
26118
|
|
chemicalCompound:mwFreebase |
520.621
|
|
chemicalCompound:alogp |
4.699
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
71.7
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.075
|
|
chemicalCompound:acdLogD |
0.726
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
520.621
|
|
chemicalCompound:acdMostBpk... |
9.846
|
|
chemicalCompound:chemblId |
CHEMBL281350
|
|
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 |
SB-224289
|
|
chemicalCompound:activity |
activity:60611,
activity:60612,
activity:60613,
activity:60614,
activity:119941,
activity:119942,
activity:119943,
activity:119944,
activity:119945,
activity:119946,
activity:119947,
activity:119948,
activity:119949,
activity:119950,
activity:119951,
activity:119952,
activity:119953,
activity:119954,
activity:119955,
activity:119956,
activity:119957,
activity:119958,
activity:119959,
activity:119960,
activity:119961,
activity:119962,
activity:119963,
activity:119964,
activity:119965,
activity:119966,
activity:119967,
activity:119968,
activity:119969,
activity:119970,
activity:119971,
activity:119972,
activity:119973,
activity:119974,
activity:119975,
activity:119976,
activity:119977,
activity:119978,
activity:119979,
activity:119980,
activity:119981,
activity:119982,
activity:119983,
activity:119984,
activity:119985,
activity:119986,
activity:119987,
activity:119988,
activity:119989,
activity:374504,
activity:374505,
activity:374506,
activity:374507,
activity:374508,
activity:374509,
activity:374510,
activity:374511,
activity:1601534,
activity:2355353,
activity:3618241,
activity:3915696
|
