|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
|
|
chemicalCompound:standardIn... |
YQEZLKZALYSWHR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNC1(CCCCC1=O)c2ccccc2Cl
|
|
chemicalCompound:molecularF... |
C13H16ClNO
|
|
chemicalCompound:moleculeId |
38833
|
|
chemicalCompound:mwFreebase |
237.725
|
|
chemicalCompound:alogp |
2.88
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.1
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.012
|
|
chemicalCompound:acdLogD |
2.965
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
237.725
|
|
chemicalCompound:acdMostBpk... |
6.458
|
|
chemicalCompound:chemblId |
CHEMBL742
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
KETAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:213208,
activity:213209,
activity:213210,
activity:213211,
activity:213212,
activity:348318,
activity:385662,
activity:417213,
activity:417214,
activity:493575,
activity:493576,
activity:844199,
activity:874651,
activity:874652,
activity:874653,
activity:874654,
activity:1106989,
activity:1106990,
activity:1106991,
activity:1106992,
activity:1106993,
activity:2249901,
activity:3273935,
activity:3274028,
activity:3274050,
activity:3274061,
activity:3274099,
activity:3275882,
activity:3275887,
activity:3275888,
activity:3275898,
activity:3275924,
activity:3392019,
activity:3392020,
activity:3392021,
activity:3392022,
activity:3392023,
activity:3392024,
activity:3392025,
activity:3392026,
activity:3392027,
activity:3392028,
activity:3392029,
activity:3392030,
activity:3392031,
activity:3392032,
activity:3392033,
activity:3392034,
activity:3666850,
activity:5080323,
activity:5081754,
activity:5081854,
activity:5081870,
activity:5083315,
activity:5317501,
activity:5318452,
activity:5319403,
activity:6074392,
activity:6074513,
activity:6155982
|
