199420

Source:http://linkedlifedata.com/resource/chembl/compound/199420

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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/C33H38N2O7/c36-29(20-25(18-23-10-4-1-5-11-23)34-31(37)22-40-26-14-8-3-9-15-26)28(19-24-12-6-2-7-13-24)35-33(38)42-30-21-41-32-27(30)16-17-39-32/h1-15,25,27-30,32,36H,16-22H2,(H,34,37)(H,35,38)/t25-,27?,28-,29-,30-,32?/m0/s1
chemicalCompound:standardIn...	PUZGZFDZPYTBGL-JIDCFOHMSA-N
chemicalCompound:canonicalS...	O[C@@H](C[C@H](Cc1ccccc1)NC(=O)COc2ccccc2)[C@H](Cc3ccccc3)NC(=O)O[C@H]4COC5OCCC45
chemicalCompound:molecularF...	C33 H38 N2 O7
chemicalCompound:moleculeId	199420
chemicalCompound:mwFreebase	574.664
chemicalCompound:alogp	4.108
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	115.35
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.534
chemicalCompound:acdLogP	3.86
chemicalCompound:acdLogD	3.86
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	574.664
chemicalCompound:chemblId	CHEMBL120961
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299420
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:76656, activity:76657, activity:76658