199392

Source:http://linkedlifedata.com/resource/chembl/compound/199392

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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/C38H45N3O9/c1-24-15-29(41-23-46-22-35(41)44)16-25(2)36(24)48-21-34(43)39-28(17-26-9-5-3-6-10-26)19-32(42)31(18-27-11-7-4-8-12-27)40-38(45)50-33-20-49-37-30(33)13-14-47-37/h3-12,15-16,28,30-33,37,42H,13-14,17-23H2,1-2H3,(H,39,43)(H,40,45)/t28-,30?,31-,32-,33-,37?/m0/s1
chemicalCompound:standardIn...	NVDDHABORSTGIU-IKLMUQOSSA-N
chemicalCompound:canonicalS...	Cc1cc(cc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5)N6COCC6=O
chemicalCompound:molecularF...	C38 H45 N3 O9
chemicalCompound:moleculeId	199392
chemicalCompound:mwFreebase	687.779
chemicalCompound:alogp	3.945
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	144.88
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.533
chemicalCompound:acdLogP	3.39
chemicalCompound:acdLogD	3.39
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	687.779
chemicalCompound:acdMostBpk...	0.87
chemicalCompound:chemblId	CHEMBL334185
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299392
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:88333, activity:88334, activity:88335