64680

Source:http://linkedlifedata.com/resource/chembl/compound/64680

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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/C33H28N4O5S/c1-22-19-37-30-28(41-31(37)35-29(22)38)27(42-32(43)36-18-17-34-21-36)26(40-30)20-39-33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19,21,26-28,30H,20H2,1H3
chemicalCompound:standardIn...	UWCSOULKJRMOJX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN2C3OC(COC(c4ccccc4)(c5ccccc5)c6ccccc6)C(OC(=S)n7ccnc7)C3OC2=NC1=O
chemicalCompound:molecularF...	C33 H28 N4 O5 S
chemicalCompound:moleculeId	64680
chemicalCompound:mwFreebase	592.664
chemicalCompound:alogp	5.913
chemicalCompound:hba	9
chemicalCompound:hbd	0
chemicalCompound:psa	119.5
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.598
chemicalCompound:acdLogD	5.598
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	592.664
chemicalCompound:acdMostBpk...	2.237
chemicalCompound:chemblId	CHEMBL290993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164680
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:222156, activity:222157, activity:222158