|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
|
|
chemicalCompound:standardIn... |
PVYJZLYGTZKPJE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O
|
|
chemicalCompound:molecularF... |
C25H22N4O8
|
|
chemicalCompound:moleculeId |
8632
|
|
chemicalCompound:mwFreebase |
506.464
|
|
chemicalCompound:alogp |
1.793
|
|
chemicalCompound:hba |
12
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
197.17
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
3.638
|
|
chemicalCompound:acdLogP |
0.087
|
|
chemicalCompound:acdLogD |
-3.191
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
506.464
|
|
chemicalCompound:acdMostBpk... |
0.353
|
|
chemicalCompound:chemblId |
CHEMBL11417
|
|
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:prefName |
STREPTONIGRIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:666748,
activity:666749,
activity:666750,
activity:666751,
activity:666752,
activity:666753,
activity:666754,
activity:666755,
activity:666756,
activity:666757,
activity:666758,
activity:666759,
activity:767132,
activity:767133,
activity:767134,
activity:767135,
activity:767136,
activity:820655,
activity:820656,
activity:820657,
activity:820658,
activity:820659,
activity:1001427,
activity:1001428,
activity:1001429,
activity:1001430,
activity:1246435,
activity:2201726,
activity:2201730,
activity:2308718,
activity:2308724,
activity:2318023,
activity:2429297,
activity:2429305,
activity:2429313,
activity:2429317,
activity:2434777,
activity:2434784,
activity:2434790,
activity:2434803,
activity:2530806,
activity:2530811,
activity:2532987,
activity:2532988,
activity:2532997,
activity:2532998,
activity:2533304,
activity:2533788,
activity:2533789,
activity:2589791,
activity:2616131,
activity:2667372,
activity:2667373,
activity:2667374,
activity:3218621,
activity:3395381,
activity:3395382,
activity:3395383,
activity:3395414,
activity:3395426,
activity:3395427,
activity:3395428,
activity:3395438
|
