|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H13Cl3N4/c20-13-3-1-12(2-4-13)16-8-23-9-17(16)19(26-10-24-25-11-26)15-6-5-14(21)7-18(15)22/h1-11,19,23H
|
|
chemicalCompound:standardIn... |
VBFAYSFFZTYTGS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)c2c[nH]cc2C(c3ccc(Cl)cc3Cl)n4cnnc4
|
|
chemicalCompound:molecularF... |
C19 H13 Cl3 N4
|
|
chemicalCompound:moleculeId |
149677
|
|
chemicalCompound:mwFreebase |
403.692
|
|
chemicalCompound:alogp |
5.2
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.5
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.882
|
|
chemicalCompound:acdLogD |
5.882
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
403.692
|
|
chemicalCompound:acdMostBpk... |
2.486
|
|
chemicalCompound:chemblId |
CHEMBL433181
|
|
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 |
activity:85781,
activity:85782,
activity:85783,
activity:85784,
activity:85785,
activity:85786,
activity:85787,
activity:85788,
activity:85789,
activity:85790,
activity:85791,
activity:85792,
activity:85793,
activity:85794,
activity:85795,
activity:85796,
activity:85797,
activity:85798,
activity:85799
|
