217874

Source:http://linkedlifedata.com/resource/chembl/compound/217874

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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/C29H28F3N4O7P/c1-18(28-35-25(36-42-28)16-21-7-11-22(12-8-21)29(30,31)32)33-27(38)24(34-26(37)17-19-5-3-2-4-6-19)15-20-9-13-23(14-10-20)43-44(39,40)41/h2-14,18,24H,15-17H2,1H3,(H,33,38)(H,34,37)(H2,39,40,41)/t18-,24-/m0/s1
chemicalCompound:standardIn...	WTOJROANXLUZGX-UUOWRZLLSA-N
chemicalCompound:canonicalS...	C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc2ccccc2)c3onc(Cc4ccc(cc4)C(F)(F)F)n3
chemicalCompound:molecularF...	C29 H28 F3 N4 O7 P
chemicalCompound:moleculeId	217874
chemicalCompound:mwFreebase	632.524
chemicalCompound:alogp	4.304
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	173.68
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.27
chemicalCompound:acdLogP	2.809
chemicalCompound:acdLogD	-1.085
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	632.524
chemicalCompound:chemblId	CHEMBL130931
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317874
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:957730, activity:957731, activity:957732