Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;
chemicalCompound:standardIn...
HNBQFKZSMFFZQY-WEUAPPMUSA-L
chemicalCompound:canonicalS...
[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c4ccc(N=Nc5c(O)ccc6cc(cc(c56)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)c4
chemicalCompound:molecularF...
C37H28N4Na2O10S3
chemicalCompound:moleculeId
983225
chemicalCompound:mwFreebase
786.85
chemicalCompound:alogp
10.012
chemicalCompound:hba
14
chemicalCompound:hbd
3
chemicalCompound:psa
246.92
chemicalCompound:rtb
10
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
-0.601
chemicalCompound:acdLogP
6.045
chemicalCompound:acdLogD
1.545
chemicalCompound:molecularS...
chemicalCompound:fullMwt
830.814
chemicalCompound:chemblId
CHEMBL1559341
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:3607430, activity:3657993, activity:3659256, activity:3675271, activity:3688093, activity:3698412, activity:3769479, activity:3773527, activity:3774759, activity:3778870, activity:3887981, activity:3894566, activity:3902802, activity:3903973, activity:3919676, activity:3927523, activity:3942318, activity:3951310, activity:3980076, activity:4057172, activity:4078761, activity:4106350, activity:4157589, activity:4291428, activity:4370541, activity:4467632, activity:4527260, activity:4534303, activity:4545901, activity:4586707, activity:4633954, activity:4670751, activity:4714052, activity:4723455, activity:4749334, activity:4783632, activity:4860209, activity:4865053, activity:4868868, activity:4872836, activity:4881142, activity:4896382, activity:4901573, activity:4902050, activity:4949393, activity:4976463, activity:4980618, activity:5018272, activity:5022698, activity:5068973, activity:5078235, activity:5864648, activity:6754250, activity:7050809, activity:7227844, activity:7458067