218535

Source:http://linkedlifedata.com/resource/chembl/compound/218535

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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/C32H31N4O8P/c37-20-28(32-35-29(36-43-32)18-23-10-13-24-8-4-5-9-25(24)16-23)34-31(39)27(33-30(38)19-21-6-2-1-3-7-21)17-22-11-14-26(15-12-22)44-45(40,41)42/h1-16,27-28,37H,17-20H2,(H,33,38)(H,34,39)(H2,40,41,42)/t27-,28-/m0/s1
chemicalCompound:standardIn...	RRNYTUGEKKWGTI-NSOVKSMOSA-N
chemicalCompound:canonicalS...	OC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc2ccccc2)c3onc(Cc4ccc5ccccc5c4)n3
chemicalCompound:molecularF...	C32 H31 N4 O8 P
chemicalCompound:moleculeId	218535
chemicalCompound:mwFreebase	630.584
chemicalCompound:alogp	3.382
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	193.91
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.269
chemicalCompound:acdLogP	2.338
chemicalCompound:acdLogD	-1.556
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	630.584
chemicalCompound:chemblId	CHEMBL336958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318535
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:977769, activity:977770, activity:977771, activity:977772