|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H15Cl2N3O/c17-13-5-3-4-12(15(13)18)16(22)21-10-8-20(9-11-21)14-6-1-2-7-19-14/h1-7H,8-11H2
|
|
chemicalCompound:standardIn... |
LWJCPHYISVLVAT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1cccc(C(=O)N2CCN(CC2)c3ccccn3)c1Cl
|
|
chemicalCompound:molecularF... |
C16H15Cl2N3O
|
|
chemicalCompound:moleculeId |
882380
|
|
chemicalCompound:mwFreebase |
336.216
|
|
chemicalCompound:alogp |
3.59
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
36.44
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.524
|
|
chemicalCompound:acdLogD |
2.472
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
336.216
|
|
chemicalCompound:acdMostBpk... |
8.428
|
|
chemicalCompound:chemblId |
CHEMBL1458496
|
|
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 |
|
