|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H15Cl2N3O2/c17-12-3-5-13(6-4-12)23-16(22)21-10-8-20(9-11-21)15-14(18)2-1-7-19-15/h1-7H,8-11H2
|
|
chemicalCompound:standardIn... |
HZBVCRHOVMWXFJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(OC(=O)N2CCN(CC2)c3ncccc3Cl)cc1
|
|
chemicalCompound:molecularF... |
C16H15Cl2N3O2
|
|
chemicalCompound:moleculeId |
612219
|
|
chemicalCompound:mwFreebase |
352.215
|
|
chemicalCompound:alogp |
4.146
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
45.67
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.516
|
|
chemicalCompound:acdLogD |
4.493
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
352.215
|
|
chemicalCompound:acdMostBpk... |
6.136
|
|
chemicalCompound:chemblId |
CHEMBL1076350
|
|
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:activity |
|
