150257

Source:http://linkedlifedata.com/resource/chembl/compound/150257

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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/C25H26N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,15,21,26H,10-12,14H2,2H3,(H,27,33)(H,28,32)(H,30,31)(H,34,35)/t15-,21?/m1/s1
chemicalCompound:standardIn...	IZMPSBUNTXDYIL-RBFZIWAESA-N
chemicalCompound:canonicalS...	C[C@H]1NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2N1
chemicalCompound:molecularF...	C25 H26 N4 O6
chemicalCompound:moleculeId	150257
chemicalCompound:mwFreebase	478.497
chemicalCompound:alogp	2.639
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	148.07
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.463
chemicalCompound:acdLogP	2.521
chemicalCompound:acdLogD	-2.211
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	478.497
chemicalCompound:acdMostBpk...	1.539
chemicalCompound:chemblId	CHEMBL330484
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:250257
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:824870, activity:824871, activity:824872, activity:824873, activity:824874