|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
GQWNECFJGBQMBO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[Cl-].CCc1c(C)[nH]c2CCC(C[NH+]3CCOCC3)C(=O)c12
|
|
chemicalCompound:molecularF... |
C16H25ClN2O2
|
|
chemicalCompound:moleculeId |
674370
|
|
chemicalCompound:mwFreebase |
276.374
|
|
chemicalCompound:alogp |
2.14
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
45.33
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-1.323
|
|
chemicalCompound:acdLogD |
-1.384
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
312.835
|
|
chemicalCompound:acdMostBpk... |
6.568
|
|
chemicalCompound:chemblId |
CHEMBL1200419
|
|
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 |
MOLINDONE HYDROCHLORIDE
|
|
chemicalCompound:activity |
activity:3634078,
activity:3666061,
activity:3974241,
activity:4753931,
activity:4811380,
activity:4945898,
activity:5006156,
activity:5070968,
activity:5316076,
activity:5316693,
activity:5570981,
activity:6787143,
activity:6809726,
activity:7434071,
activity:7441363
|
