|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C30H20ClNO5/c31-21-11-13-22(14-12-21)32-29(34)28-27(20-9-5-2-6-10-20)24-16-15-23(18-25(24)37-30(28)35)36-26(33)17-19-7-3-1-4-8-19/h1-16,18H,17H2,(H,32,34)
|
|
chemicalCompound:standardIn... |
HZNIKYNEYZNQSG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(NC(=O)C2=C(c3ccccc3)c4ccc(OC(=O)Cc5ccccc5)cc4OC2=O)cc1
|
|
chemicalCompound:molecularF... |
C30H20ClNO5
|
|
chemicalCompound:moleculeId |
1310226
|
|
chemicalCompound:mwFreebase |
509.936
|
|
chemicalCompound:alogp |
6.254
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
81.7
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.943
|
|
chemicalCompound:acdLogP |
5.694
|
|
chemicalCompound:acdLogD |
5.694
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
509.936
|
|
chemicalCompound:chemblId |
CHEMBL1988935
|
|
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:8254103,
activity:8303684,
activity:8318841,
activity:8408880,
activity:8424862,
activity:8440060,
activity:8524334,
activity:8580701,
activity:8605203,
activity:8661712,
activity:8682030,
activity:8772644,
activity:8779438,
activity:8809316,
activity:8907910,
activity:8932708,
activity:8975563,
activity:9042804,
activity:9076341,
activity:9099399,
activity:9101645,
activity:9172758,
activity:9192773,
activity:9236771,
activity:9292091,
activity:9297724,
activity:9336589,
activity:9364725,
activity:9370987,
activity:9443633,
activity:9454705,
activity:9651903,
activity:9710047,
activity:9720485,
activity:9796165,
activity:9867352,
activity:9896326,
activity:9930018,
activity:9967878,
activity:10085118,
activity:10105463,
activity:10108860,
activity:10176688,
activity:10221533,
activity:10254276,
activity:10261147,
activity:10372884,
activity:10446615,
activity:10456785,
activity:10498402,
activity:10510405,
activity:10572091,
activity:10599496,
activity:10606890,
activity:10621779,
activity:10704641,
activity:10724762,
activity:10797535
|
