|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
|
|
chemicalCompound:standardIn... |
YDBCEBYHYKAFRX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(NC(=O)c2ccc(cc2)c3ccc(cc3C)c4noc(C)n4)cc1N5CCN(C)CC5
|
|
chemicalCompound:molecularF... |
C29 H31 N5 O3
|
|
chemicalCompound:moleculeId |
16396
|
|
chemicalCompound:mwFreebase |
497.588
|
|
chemicalCompound:alogp |
4.373
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
83.73
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
12.552
|
|
chemicalCompound:acdLogP |
3.69
|
|
chemicalCompound:acdLogD |
3.294
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
497.588
|
|
chemicalCompound:acdMostBpk... |
7.762
|
|
chemicalCompound:chemblId |
CHEMBL15928
|
|
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 |
GR-127935
|
|
chemicalCompound:activity |
activity:32187,
activity:32188,
activity:32189,
activity:32190,
activity:132832,
activity:132833,
activity:132834,
activity:132835,
activity:132836,
activity:145216,
activity:145217,
activity:145218,
activity:145219,
activity:145220,
activity:145221,
activity:145222,
activity:145223,
activity:145224,
activity:145225,
activity:145226,
activity:145227,
activity:145228,
activity:145229,
activity:145230,
activity:145231,
activity:145232,
activity:145233,
activity:145234,
activity:145235,
activity:385733,
activity:385734,
activity:385735,
activity:385736,
activity:385737,
activity:385738,
activity:385739,
activity:385740,
activity:708394,
activity:708395,
activity:708396,
activity:708397,
activity:708398,
activity:708399,
activity:1507635,
activity:1507636,
activity:1601509,
activity:1601510,
activity:1601511,
activity:1601512,
activity:1601513,
activity:1601514,
activity:1601515,
activity:1601516,
activity:1601517,
activity:1601518,
activity:1601519,
activity:1601520,
activity:1601521,
activity:1601522,
activity:1601523,
activity:1601524,
activity:1601525,
activity:1601526,
activity:1601527,
activity:1601528,
activity:1601529,
activity:1601530,
activity:1601531,
activity:1601532,
activity:1601533,
activity:2040043,
activity:2040050,
activity:3615216,
activity:3671875,
activity:3688430,
activity:3689329,
activity:3787930,
activity:3833529,
activity:3919325,
activity:3923205,
activity:3939919,
activity:3948435,
activity:4015233,
activity:4015343,
activity:4025093,
activity:4096340,
activity:4382010,
activity:4393042,
activity:4522057,
activity:4542656,
activity:4589023,
activity:4619997,
activity:4633673,
activity:4655830,
activity:4778619,
activity:4783726,
activity:4803467,
activity:4809345,
activity:4844092,
activity:4846106,
activity:4850219,
activity:4853870,
activity:4874663,
activity:4878617,
activity:4974058,
activity:4977970,
activity:5001920,
activity:5069338,
activity:5070356,
activity:5070490,
activity:5507797,
activity:5565010,
activity:5569929,
activity:5570134,
activity:5685080,
activity:5774922,
activity:5778059,
activity:5854090,
activity:5867107,
activity:5867386,
activity:5975431,
activity:5986919,
activity:5988618,
activity:5997144,
activity:6016552,
activity:6052064,
activity:6053954,
activity:6056415,
activity:6062718,
activity:6064423,
activity:6066483,
activity:6457289,
activity:6558915,
activity:6862574,
activity:6886785,
activity:7046017,
activity:7298769,
activity:7370171,
activity:7447573,
activity:7453637,
activity:7471876,
activity:7484022,
activity:7515748,
activity:7522888,
activity:10101882
|
