|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
|
|
chemicalCompound:standardIn... |
GBBSUAFBMRNDJC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4
|
|
chemicalCompound:molecularF... |
C17H17ClN6O3
|
|
chemicalCompound:moleculeId |
224263
|
|
chemicalCompound:mwFreebase |
388.808
|
|
chemicalCompound:alogp |
1.386
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
91.76
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.713
|
|
chemicalCompound:acdLogD |
2.633
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
388.808
|
|
chemicalCompound:acdMostBpk... |
6.704
|
|
chemicalCompound:chemblId |
CHEMBL135400
|
|
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:prefName |
ZOPICLONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:994803,
activity:2672797,
activity:2672798,
activity:2978374,
activity:2979692,
activity:2979703,
activity:2990647,
activity:2991822,
activity:2993550,
activity:2994752,
activity:2994939,
activity:2996519,
activity:3218687,
activity:3390548,
activity:3390549,
activity:3390550,
activity:3390551,
activity:3390552,
activity:3390553,
activity:3390554,
activity:3390555,
activity:3390556,
activity:3390557,
activity:3390558,
activity:3390559,
activity:3390560,
activity:3390561,
activity:3390562,
activity:3390563,
activity:3596798,
activity:3673523,
activity:3968982,
activity:4041715,
activity:4334424,
activity:5079816,
activity:5081167,
activity:5082005,
activity:5082390,
activity:5082565,
activity:5684966,
activity:7840835,
activity:7840836,
activity:7840837,
activity:7840838,
activity:7840839,
activity:7840840,
activity:7840841,
activity:7840842,
activity:7840843,
activity:7840844,
activity:7840845,
activity:7840846,
activity:7840847,
activity:7840848
|
