172145

Source:http://linkedlifedata.com/resource/chembl/compound/172145

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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/C32H37N5O5/c1-21-9-10-22(19-25(21)30(38)39)37-29(20-28(35-37)32(2,3)4)34-31(40)33-26-11-12-27(24-8-6-5-7-23(24)26)42-18-15-36-13-16-41-17-14-36/h5-12,19-20H,13-18H2,1-4H3,(H,38,39)(H2,33,34,40)
chemicalCompound:standardIn...	ZSGYFOODLVWHNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1C(=O)O)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C
chemicalCompound:molecularF...	C32 H37 N5 O5
chemicalCompound:moleculeId	172145
chemicalCompound:mwFreebase	571.667
chemicalCompound:alogp	2.502
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	117.95
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.546
chemicalCompound:acdLogP	4.385
chemicalCompound:acdLogD	1.423
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	571.667
chemicalCompound:acdMostBpk...	6.416
chemicalCompound:chemblId	CHEMBL420474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272145
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:1141100, activity:1141101, activity:1141102