|
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/t16-/m0/s1
|
|
chemicalCompound:standardIn... |
GBBSUAFBMRNDJC-INIZCTEOSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN(CC1)C(=O)O[C@@H]2N(C(=O)c3nccnc23)c4ccc(Cl)cn4
|
|
chemicalCompound:molecularF... |
C17H17ClN6O3
|
|
chemicalCompound:moleculeId |
421334
|
|
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 |
CHEMBL1522
|
|
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 |
ESZOPICLONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:2060011,
activity:2401226,
activity:2401231,
activity:2401236,
activity:2401237,
activity:2401239,
activity:2401242,
activity:2401254,
activity:2401255,
activity:2401256,
activity:2401261,
activity:2401263,
activity:2401264,
activity:2401266,
activity:2401267,
activity:2401271,
activity:2401274,
activity:2401275,
activity:2401284,
activity:2401295,
activity:2401299,
activity:2401300,
activity:2401308,
activity:2401315,
activity:2401316,
activity:2401317,
activity:2401321,
activity:2401322,
activity:2401323,
activity:2401324,
activity:2401325,
activity:2401328,
activity:2401332,
activity:2401333,
activity:2401335,
activity:2401338,
activity:2401339,
activity:2401342,
activity:2401343,
activity:2401344,
activity:2401346,
activity:2401347,
activity:2401348,
activity:2401351,
activity:2401357,
activity:2401361,
activity:2401362,
activity:2401363,
activity:2401373,
activity:2401374,
activity:2401375,
activity:2401376,
activity:2401377,
activity:2401378,
activity:6670368,
activity:7549700
|
