778482

Source:http://linkedlifedata.com/resource/chembl/compound/778482

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C26H19N3O4S/c1-31-17-6-4-5-15(11-17)18-13-34-26(28-18)22-19-7-2-3-10-29(19)24(23(22)27)25(30)16-8-9-20-21(12-16)33-14-32-20/h2-13H,14,27H2,1H3
chemicalCompound:standardIn...	MCZWKTWZTDWVKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)c2csc(n2)c3c(N)c(C(=O)c4ccc5OCOc5c4)n6ccccc36
chemicalCompound:molecularF...	C26H19N3O4S
chemicalCompound:moleculeId	778482
chemicalCompound:mwFreebase	469.512
chemicalCompound:alogp	4.69
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	116.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.998
chemicalCompound:acdLogD	4.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	469.512
chemicalCompound:acdMostBpk...	1.721
chemicalCompound:chemblId	CHEMBL1354598
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:878482
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:3872975, activity:3953988, activity:3982121, activity:4009146, activity:4465085, activity:4734213, activity:6712592, activity:7232795, activity:7505049