332507

Source:http://linkedlifedata.com/resource/chembl/compound/332507

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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/C27H26N2O6S/c1-34-21-11-9-19(10-12-21)17-28-25-14-13-23(16-24(25)26(30)27(28)31)36(32,33)29-15-5-6-20(29)18-35-22-7-3-2-4-8-22/h2-4,7-14,16,20H,5-6,15,17-18H2,1H3/t20-/m0/s1
chemicalCompound:standardIn...	RGKPGQYSJPTIFN-FQEVSTJZSA-N
chemicalCompound:canonicalS...	COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CCC[C@H]4COc5ccccc5)cc1
chemicalCompound:molecularF...	C27 H26 N2 O6 S
chemicalCompound:moleculeId	332507
chemicalCompound:mwFreebase	506.57
chemicalCompound:alogp	3.682
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	101.6
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.877
chemicalCompound:acdLogD	3.877
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	506.57
chemicalCompound:chemblId	CHEMBL200677
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432507
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:1656557, activity:1656584, activity:1656611, activity:1656638, activity:1656665, activity:1778206, activity:1778225, activity:1778244, activity:1778263, activity:1778281, activity:1778300