|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H19ClN4/c25-23-6-2-1-5-20(23)21-15-27-16-22(21)24(29-14-11-26-17-29)18-7-9-19(10-8-18)28-12-3-4-13-28/h1-17,24,27H
|
|
chemicalCompound:standardIn... |
HEBSFWVNTHQDPP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccccc1c2c[nH]cc2C(c3ccc(cc3)n4cccc4)n5ccnc5
|
|
chemicalCompound:molecularF... |
C24 H19 Cl N4
|
|
chemicalCompound:moleculeId |
222455
|
|
chemicalCompound:mwFreebase |
398.887
|
|
chemicalCompound:alogp |
5.271
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
38.54
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.005
|
|
chemicalCompound:acdLogD |
5.958
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
398.887
|
|
chemicalCompound:acdMostBpk... |
6.417
|
|
chemicalCompound:chemblId |
CHEMBL132520
|
|
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:1250657,
activity:1250658,
activity:1250659,
activity:1250660,
activity:1250661,
activity:1250662,
activity:1250663,
activity:1250664,
activity:1250665,
activity:1250666,
activity:1250667,
activity:1250668,
activity:1250669,
activity:1250670,
activity:1250671,
activity:1250672
|
