|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H15Cl2N3/c21-18-7-6-15(10-19(18)22)20(25-9-8-23-13-25)17-12-24-11-16(17)14-4-2-1-3-5-14/h1-13,20,24H
|
|
chemicalCompound:standardIn... |
QDEDFXAQPPQYEW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1Cl)C(c2c[nH]cc2c3ccccc3)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H15 Cl2 N3
|
|
chemicalCompound:moleculeId |
222327
|
|
chemicalCompound:mwFreebase |
368.259
|
|
chemicalCompound:alogp |
5.059
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.61
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.053
|
|
chemicalCompound:acdLogD |
6.019
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
368.259
|
|
chemicalCompound:acdMostBpk... |
6.271
|
|
chemicalCompound:chemblId |
CHEMBL135036
|
|
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:1228867,
activity:1228868,
activity:1228869,
activity:1228870,
activity:1228871,
activity:1228872,
activity:1228873,
activity:1228874,
activity:1228875,
activity:1228876,
activity:1228877,
activity:1228878,
activity:1228879,
activity:1228880,
activity:1228881,
activity:1228882
|
