1154625

Source:http://linkedlifedata.com/resource/chembl/compound/1154625

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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/C28H30N4O2S/c1-3-18(2)26(32-28(35)31-25-14-8-10-19-9-4-5-11-22(19)25)27(34)30-21(17-33)15-20-16-29-24-13-7-6-12-23(20)24/h4-14,16-18,21,26,29H,3,15H2,1-2H3,(H,30,34)(H2,31,32,35)/t18-,21-,26+/m1/s1
chemicalCompound:standardIn...	ZDJKOPMEVPPKBM-OFUUFJSKSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)[C@H](\N=C(/S)\Nc1cccc2ccccc12)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C=O
chemicalCompound:molecularF...	C28H30N4O2S
chemicalCompound:moleculeId	1154625
chemicalCompound:mwFreebase	486.628
chemicalCompound:alogp	5.819
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	125.15
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.621
chemicalCompound:acdLogP	5.657
chemicalCompound:acdLogD	3.17
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	486.628
chemicalCompound:acdMostBpk...	11.382
chemicalCompound:chemblId	CHEMBL1790994
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1254625
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:318485, activity:318486, activity:318487