|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H8Cl2N2O2S/c18-11-6-5-8(7-12(11)19)20-17-21-13-14(22)9-3-1-2-4-10(9)15(23)16(13)24-17/h1-7H,(H,20,21)
|
|
chemicalCompound:standardIn... |
SGDPXYIMMVMCCY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1Cl
|
|
chemicalCompound:molecularF... |
C17H8Cl2N2O2S
|
|
chemicalCompound:moleculeId |
1292673
|
|
chemicalCompound:mwFreebase |
375.229
|
|
chemicalCompound:alogp |
5.404
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
87.3
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.217
|
|
chemicalCompound:acdLogD |
4.217
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
375.229
|
|
chemicalCompound:chemblId |
CHEMBL1971382
|
|
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:8259237,
activity:8308807,
activity:8323760,
activity:8413937,
activity:8486824,
activity:8506866,
activity:8520350,
activity:8581381,
activity:8597076,
activity:8652759,
activity:8666649,
activity:8669284,
activity:8777411,
activity:8784504,
activity:8809718,
activity:8870694,
activity:8908508,
activity:8976284,
activity:9020425,
activity:9026170,
activity:9081287,
activity:9086640,
activity:9106514,
activity:9154992,
activity:9193383,
activity:9228606,
activity:9230926,
activity:9294962,
activity:9310235,
activity:9368865,
activity:9371482,
activity:9448419,
activity:9451019,
activity:9692084,
activity:9698280,
activity:9725732,
activity:9768053,
activity:9796545,
activity:9872445,
activity:9905594,
activity:9939494,
activity:9972804,
activity:10084018,
activity:10089894,
activity:10091682,
activity:10175331,
activity:10177250,
activity:10193208,
activity:10291855,
activity:10340081,
activity:10382163,
activity:10424135,
activity:10431193,
activity:10451648,
activity:10488712,
activity:10507584,
activity:10555151,
activity:10600225,
activity:10616016,
activity:10622112,
activity:10709643,
activity:10791118,
activity:10806642,
activity:10815088
|
