|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H18N4O2S3/c28-21(19-7-3-11-31-19)26(15-17-5-1-9-24-13-17)23(30)27(16-18-6-2-10-25-14-18)22(29)20-8-4-12-32-20/h1-14H,15-16H2
|
|
chemicalCompound:standardIn... |
YGJAPNBDISSOHW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(N(Cc1cccnc1)C(=S)N(Cc2cccnc2)C(=O)c3cccs3)c4cccs4
|
|
chemicalCompound:molecularF... |
C23H18N4O2S3
|
|
chemicalCompound:moleculeId |
1285824
|
|
chemicalCompound:mwFreebase |
478.61
|
|
chemicalCompound:alogp |
4.349
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
154.96
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.95
|
|
chemicalCompound:acdLogD |
2.949
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
478.61
|
|
chemicalCompound:acdMostBpk... |
4.649
|
|
chemicalCompound:chemblId |
CHEMBL1964533
|
|
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:8238730,
activity:8262828,
activity:8312512,
activity:8332020,
activity:8375920,
activity:8413115,
activity:8442199,
activity:8457430,
activity:8521953,
activity:8537673,
activity:8612113,
activity:8618517,
activity:8699453,
activity:8785695,
activity:8788175,
activity:8816029,
activity:8818153,
activity:8869926,
activity:8920913,
activity:8960310,
activity:8984360,
activity:9030092,
activity:9114559,
activity:9121216,
activity:9169099,
activity:9201604,
activity:9234463,
activity:9303066,
activity:9310743,
activity:9456337,
activity:9467550,
activity:9554713,
activity:9640855,
activity:9723181,
activity:9729102,
activity:9812774,
activity:9875957,
activity:9904970,
activity:9910304,
activity:9938669,
activity:9989329,
activity:10000593,
activity:10097892,
activity:10119124,
activity:10187904,
activity:10192495,
activity:10230352,
activity:10269596,
activity:10306748,
activity:10436218,
activity:10455030,
activity:10511143,
activity:10539803,
activity:10615321,
activity:10638735,
activity:10721934,
activity:10742078,
activity:10810189
|
