417851

Source:http://linkedlifedata.com/resource/chembl/compound/417851

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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/C37H48N6O3S/c1-22(2)46-36(45)41-35(43-15-12-27(21-43)26-10-13-38-14-11-26)39-20-25(5)31-29-19-30(37(6,7)34(44)42(8)9)47-33(29)40-32(31)28-17-23(3)16-24(4)18-28/h10-11,13-14,16-19,22,25,27,40H,12,15,20-21H2,1-9H3,(H,39,41,45)/t25-,27?/m1/s1
chemicalCompound:standardIn...	QBFCIBUPOVSOBH-CSMDKSQMSA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)\N=C(\NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N(C)C)c3cc(C)cc(C)c3)/N4CCC(C4)c5ccncc5
chemicalCompound:molecularF...	C37 H48 N6 O3 S
chemicalCompound:moleculeId	417851
chemicalCompound:mwFreebase	656.88
chemicalCompound:alogp	7.11
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	131.16
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.517
chemicalCompound:acdLogD	6.456
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	656.88
chemicalCompound:acdMostBpk...	6.403
chemicalCompound:chemblId	CHEMBL249372
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:517851
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:2052087, activity:2052088, activity:2052089