953964

Source:http://linkedlifedata.com/resource/chembl/compound/953964

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H16N2O4S/c1-12-9-17-18(10-13(12)2)25-21(26)20(30-23(25)24-17)11-14-7-8-19(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b20-11+
chemicalCompound:standardIn...	UYYLCRHWINADHX-RGVLZGJSSA-N
chemicalCompound:canonicalS...	Cc1cc2nc3S\C(=C\c4oc(cc4)c5ccccc5C(=O)O)\C(=O)n3c2cc1C
chemicalCompound:molecularF...	C23H16N2O4S
chemicalCompound:moleculeId	953964
chemicalCompound:mwFreebase	416.449
chemicalCompound:alogp	5.809
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	110.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.633
chemicalCompound:acdLogP	3.993
chemicalCompound:acdLogD	0.937
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.449
chemicalCompound:acdMostBpk...	1.612
chemicalCompound:chemblId	CHEMBL1530080
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1053964
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3616823, activity:3785521, activity:3807328, activity:4266447, activity:4331677, activity:4397119, activity:4523517, activity:4572703, activity:4917640, activity:5051841, activity:5337431, activity:5356793, activity:5419669, activity:5569116, activity:5652026, activity:5729475, activity:5827172, activity:5861735, activity:6475502, activity:6566168, activity:6747911, activity:6791826, activity:6978404, activity:7201967, activity:7424587, activity:10585840