144606

Source:http://linkedlifedata.com/resource/chembl/compound/144606

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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/C31H46N4O6/c1-7-12-24(27(36)29(38)32-20(6)21-13-9-8-10-14-21)33-28(37)26-23-16-11-15-22(23)17-35(26)30(39)25(18(2)3)34-31(40)41-19(4)5/h8-10,13-14,18-20,22-26H,7,11-12,15-17H2,1-6H3,(H,32,38)(H,33,37)(H,34,40)/t20-,22-,23-,24?,25-,26-/m0/s1
chemicalCompound:standardIn...	QUWLLYOWZSKAPX-WXIYOMGPSA-N
chemicalCompound:canonicalS...	CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c3ccccc3
chemicalCompound:molecularF...	C31 H46 N4 O6
chemicalCompound:moleculeId	144606
chemicalCompound:mwFreebase	570.72
chemicalCompound:alogp	4.076
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	133.9
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.187
chemicalCompound:acdLogP	4.58
chemicalCompound:acdLogD	4.58
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	570.72
chemicalCompound:chemblId	CHEMBL423501
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:244606
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:845548, activity:845549, activity:845550, activity:945654, activity:945655, activity:945656, activity:945657