150765

Source:http://linkedlifedata.com/resource/chembl/compound/150765

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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/C26H27N3O6/c1-3-12-29(15-17-4-9-21-20(14-17)23(30)13-16(2)27-21)19-7-5-18(6-8-19)25(33)28-22(26(34)35)10-11-24(31)32/h1,4-9,14,16,22,27H,10-13,15H2,2H3,(H,28,33)(H,31,32)(H,34,35)/t16-,22?/m0/s1
chemicalCompound:standardIn...	ASNNGSVNOWENFH-CISYCMJJSA-N
chemicalCompound:canonicalS...	C[C@H]1CC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2N1
chemicalCompound:molecularF...	C26 H27 N3 O6
chemicalCompound:moleculeId	150765
chemicalCompound:mwFreebase	477.509
chemicalCompound:alogp	3.504
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	136.04
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.463
chemicalCompound:acdLogP	2.689
chemicalCompound:acdLogD	-2.048
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	477.509
chemicalCompound:acdMostBpk...	2.375
chemicalCompound:chemblId	CHEMBL90795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:250765
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:814220, activity:814221, activity:814222, activity:814223, activity:814224, activity:814225, activity:814226