496382

Source:http://linkedlifedata.com/resource/chembl/compound/496382

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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/C25H35N3O7S/c1-18(29)16-28(36(33,34)21-11-7-10-20(15-21)35-3)17-23(30)22(14-19-8-5-4-6-9-19)27-25(32)13-12-24(31)26-2/h4-11,15,18,22-23,29-30H,12-14,16-17H2,1-3H3,(H,26,31)(H,27,32)/t18-,22-,23+/m0/s1
chemicalCompound:standardIn...	PUILPMKESPMMSZ-OFAXGOBFSA-N
chemicalCompound:canonicalS...	CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H](C)O)S(=O)(=O)c2cccc(OC)c2
chemicalCompound:molecularF...	C25H35N3O7S
chemicalCompound:moleculeId	496382
chemicalCompound:mwFreebase	521.626
chemicalCompound:alogp	0.807
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	153.64
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.506
chemicalCompound:acdLogP	1.511
chemicalCompound:acdLogD	1.511
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	521.626
chemicalCompound:chemblId	CHEMBL456930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596382
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:2496881, activity:2496990