|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H17N3O/c1-17-10-15-14-7-4-8-18(14)13-6-3-2-5-12(13)9-19(15)16(20)11-17/h2-8,15H,9-11H2,1H3
|
|
chemicalCompound:standardIn... |
ICHXNRGFPUJMOV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CC2N(Cc3ccccc3n4cccc24)C(=O)C1
|
|
chemicalCompound:molecularF... |
C16 H17 N3 O
|
|
chemicalCompound:moleculeId |
232868
|
|
chemicalCompound:mwFreebase |
267.326
|
|
chemicalCompound:alogp |
1.831
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
28.48
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.793
|
|
chemicalCompound:acdLogD |
0.49
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
267.326
|
|
chemicalCompound:acdMostBpk... |
7.406
|
|
chemicalCompound:chemblId |
CHEMBL140438
|
|
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:1089310,
activity:1089311,
activity:1089312,
activity:1089313,
activity:1089314,
activity:1089315,
activity:1089316,
activity:8254039,
activity:8303622,
activity:8318777,
activity:8404671,
activity:8524276,
activity:8580637,
activity:8600957,
activity:8681970,
activity:8772579,
activity:8809252,
activity:8907846,
activity:8928430,
activity:8971339,
activity:9042787,
activity:9076276,
activity:9101583,
activity:9172738,
activity:9192707,
activity:9292024,
activity:9297661,
activity:9336573,
activity:9360538,
activity:9443571,
activity:9454642,
activity:9651883,
activity:9695564,
activity:9705852,
activity:9716293,
activity:9796104,
activity:9867288,
activity:9896260,
activity:9929953,
activity:9967817,
activity:10085058,
activity:10105444,
activity:10108839,
activity:10176625,
activity:10217348,
activity:10254211,
activity:10261081,
activity:10372819,
activity:10446551,
activity:10456774,
activity:10498335,
activity:10510387,
activity:10572074,
activity:10606825,
activity:10704575,
activity:10724705,
activity:10797471,
activity:10820476
|
