1048657

Source:http://linkedlifedata.com/resource/chembl/compound/1048657

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C29H34N4O3S2/c1-21-18-22(2)27-26(19-21)30-29(37-27)33(17-9-16-31(3)4)28(34)24-12-14-25(15-13-24)38(35,36)32(5)20-23-10-7-6-8-11-23/h6-8,10-15,18-19H,9,16-17,20H2,1-5H3
chemicalCompound:standardIn...	HGSRDXHNGMLSSA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc2ccccc2)c3nc4cc(C)cc(C)c4s3
chemicalCompound:molecularF...	C29H34N4O3S2
chemicalCompound:moleculeId	1048657
chemicalCompound:mwFreebase	550.735
chemicalCompound:alogp	5.32
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	110.43
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.199
chemicalCompound:acdLogD	4.406
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	550.735
chemicalCompound:acdMostBpk...	9.17
chemicalCompound:chemblId	CHEMBL1625706
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1148657
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No