|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
|
|
chemicalCompound:standardIn... |
BLJRIMJGRPQVNF-JTQLQIEISA-N
|
|
chemicalCompound:canonicalS... |
CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2
|
|
chemicalCompound:molecularF... |
C13H24N4O3S
|
|
chemicalCompound:moleculeId |
8531
|
|
chemicalCompound:mwFreebase |
316.42
|
|
chemicalCompound:alogp |
0.507
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
107.98
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.376
|
|
chemicalCompound:acdLogP |
1.28
|
|
chemicalCompound:acdLogD |
-0.599
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.42
|
|
chemicalCompound:acdMostBpk... |
9.352
|
|
chemicalCompound:chemblId |
CHEMBL499
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
TIMOLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1995
|
|
chemicalCompound:activity |
activity:33742,
activity:65713,
activity:65714,
activity:122836,
activity:122837,
activity:122838,
activity:122839,
activity:122840,
activity:159231,
activity:159232,
activity:159233,
activity:159234,
activity:159235,
activity:159236,
activity:159237,
activity:159238,
activity:159239,
activity:159240,
activity:159241,
activity:159242,
activity:159243,
activity:159244,
activity:159245,
activity:159246,
activity:159247,
activity:159248,
activity:163030,
activity:163031,
activity:163032,
activity:163033,
activity:163034,
activity:163035,
activity:163036,
activity:163037,
activity:163038,
activity:163039,
activity:163040,
activity:163041,
activity:163042,
activity:163043,
activity:163044,
activity:163045,
activity:163046,
activity:163047,
activity:201039,
activity:360896,
activity:433682,
activity:433683,
activity:433684,
activity:433685,
activity:433686,
activity:433687,
activity:433688
|
