|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H31N5O2.ClH/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;1H
|
|
chemicalCompound:standardIn... |
RICLFGYGYQXUFH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4
|
|
chemicalCompound:molecularF... |
C21H32ClN5O2
|
|
chemicalCompound:moleculeId |
674350
|
|
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 |
428.012
|
|
chemicalCompound:acdMostBpk... |
7.717
|
|
chemicalCompound:chemblId |
CHEMBL1200399
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1986
|
|
chemicalCompound:activity |
activity:1138960,
activity:1138961,
activity:1246268,
activity:1246269,
activity:1246270,
activity:1246271,
activity:1246272,
activity:1246273,
activity:1246274,
activity:3473934,
activity:3490279,
activity:3490280,
activity:3695272,
activity:3707811,
activity:3988943,
activity:4149369,
activity:4164263,
activity:4278632,
activity:4328797,
activity:4358439,
activity:4371696,
activity:4535940,
activity:4538286,
activity:4839889,
activity:5709843,
activity:5757810,
activity:6647874,
activity:7012647,
activity:7434481
|
