199937

Source:http://linkedlifedata.com/resource/chembl/compound/199937

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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/C36H41N3O9/c1-21-15-29-32(39-36(43)47-29)22(2)33(21)45-20-31(41)37-25(16-23-9-5-3-6-10-23)18-28(40)27(17-24-11-7-4-8-12-24)38-35(42)48-30-19-46-34-26(30)13-14-44-34/h3-12,15,25-28,30,34,40H,13-14,16-20H2,1-2H3,(H,37,41)(H,38,42)(H,39,43)/t25-,26?,27-,28-,30-,34?/m0/s1
chemicalCompound:standardIn...	YQELFTNZNPDQJI-UCXOSJMJSA-N
chemicalCompound:canonicalS...	Cc1cc2oc(O)nc2c(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]4COC5OCCC45)Cc6ccccc6
chemicalCompound:molecularF...	C36 H41 N3 O9
chemicalCompound:moleculeId	199937
chemicalCompound:mwFreebase	659.725
chemicalCompound:alogp	4.906
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	161.61
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.72
chemicalCompound:acdLogP	4.036
chemicalCompound:acdLogD	2.203
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	659.725
chemicalCompound:chemblId	CHEMBL264549
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299937
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:76662, activity:76663, activity:76664