|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
|
|
chemicalCompound:standardIn... |
QWCRAEMEVRGPNT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4
|
|
chemicalCompound:molecularF... |
C21H31N5O2
|
|
chemicalCompound:moleculeId |
3599
|
|
chemicalCompound:mwFreebase |
385.503
|
|
chemicalCompound:alogp |
2.021
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
69.64
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.591
|
|
chemicalCompound:acdLogD |
1.235
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
385.503
|
|
chemicalCompound:acdMostBpk... |
7.717
|
|
chemicalCompound:chemblId |
CHEMBL49
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BUSPIRONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1986
|
|
chemicalCompound:activity |
activity:53362,
activity:53363,
activity:53364,
activity:53365,
activity:53366,
activity:78598,
activity:78599,
activity:78600,
activity:102327,
activity:102328,
activity:102329,
activity:102330,
activity:147159,
activity:147160,
activity:159622,
activity:159623,
activity:159624,
activity:159625,
activity:159626,
activity:159627,
activity:159628,
activity:159629,
activity:258479,
activity:258480,
activity:305128,
activity:305129,
activity:305130,
activity:305131,
activity:305132,
activity:307662,
activity:307663,
activity:307664,
activity:328488,
activity:328489,
activity:328490,
activity:340292,
activity:340293,
activity:340294,
activity:340295,
activity:340296,
activity:355525,
activity:355526,
activity:355527,
activity:355528,
activity:365258,
activity:456891,
activity:456892,
activity:456893,
activity:456894,
activity:456895,
activity:456896,
activity:578238,
activity:585408,
activity:585409,
activity:585410,
activity:585411,
activity:596147,
activity:596148,
activity:609292,
activity:609293
|
