269612

Source:http://linkedlifedata.com/resource/chembl/compound/269612

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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/C24H30N2O4S/c1-24(2,3)17-9-11-18(12-10-17)30-19-7-4-6-16(14-19)22-26(21(27)15-31-22)20(23(28)29)8-5-13-25/h4,6-7,9-12,14,20,22H,5,8,13,15,25H2,1-3H3,(H,28,29)/t20-,22?/m0/s1
chemicalCompound:standardIn...	MNVWQMPWGSHTHZ-AIBWNMTMSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(Oc2cccc(c2)C3SCC(=O)N3[C@@H](CCCN)C(=O)O)cc1
chemicalCompound:molecularF...	C24 H30 N2 O4 S
chemicalCompound:moleculeId	269612
chemicalCompound:mwFreebase	442.571
chemicalCompound:alogp	1.574
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	118.16
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.61
chemicalCompound:acdLogP	7.669
chemicalCompound:acdLogD	5.168
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	442.571
chemicalCompound:acdMostBpk...	10.52
chemicalCompound:chemblId	CHEMBL348928
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:369612
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:654639