1146071

Source:http://linkedlifedata.com/resource/chembl/compound/1146071

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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/C27H44O4/c1-16(2)6-9-23(29)17(3)27(31)24(30)15-22-20-8-7-18-14-19(28)10-12-25(18,4)21(20)11-13-26(22,27)5/h7,16-17,19-22,24,28,30-31H,6,8-15H2,1-5H3/t17-,19+,20-,21+,22+,24+,25+,26+,27-/m1/s1
chemicalCompound:standardIn...	NADGMNRIXBCKSF-SCDYPVRCSA-N
chemicalCompound:canonicalS...	CC(C)CCC(=O)[C@@H](C)[C@@]1(O)[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
chemicalCompound:molecularF...	C27H44O4
chemicalCompound:moleculeId	1146071
chemicalCompound:mwFreebase	432.636
chemicalCompound:alogp	4.25
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.761
chemicalCompound:acdLogP	4.406
chemicalCompound:acdLogD	4.406
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	432.636
chemicalCompound:chemblId	CHEMBL1775018
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1246071
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:6188519, activity:6188533, activity:6188547, activity:6188561, activity:6189458, activity:6189468, activity:6189482, activity:6189492, activity:6189502