171943

Source:http://linkedlifedata.com/resource/chembl/compound/171943

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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/C33H48N4O5/c1-21(2)26(36-32(40)30(22(3)4)37-17-11-16-34-33(37)41)19-28(38)27(18-25-14-8-7-9-15-25)35-29(39)20-42-31-23(5)12-10-13-24(31)6/h7-10,12-15,21-22,26-28,30,38H,11,16-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)/t26-,27+,28+,30+/m1/s1
chemicalCompound:standardIn...	BVFDLUZVMBYSDL-KGVZJERPSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc2c(C)cccc2C)NC(=O)[C@H](C(C)C)N3CCCNC3=O
chemicalCompound:molecularF...	C33 H48 N4 O5
chemicalCompound:moleculeId	171943
chemicalCompound:mwFreebase	580.758
chemicalCompound:alogp	4.213
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	119.99
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.889
chemicalCompound:acdLogP	5.096
chemicalCompound:acdLogD	5.096
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	580.758
chemicalCompound:chemblId	CHEMBL317667
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271943
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:1085501, activity:1085502, activity:1085503