131013

Source:http://linkedlifedata.com/resource/chembl/compound/131013

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H22Cl2O4/c1-19(12-5-2-3-6-12)10-11-9-13(25-8-4-7-14(22)23)16(20)17(21)15(11)18(19)24/h9,12H,2-8,10H2,1H3,(H,22,23)
chemicalCompound:standardIn...	PXWSOXCFMXFTSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O)C3CCCC3
chemicalCompound:molecularF...	C19 H22 Cl2 O4
chemicalCompound:moleculeId	131013
chemicalCompound:mwFreebase	385.282
chemicalCompound:alogp	5.386
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.531
chemicalCompound:acdLogP	4.779
chemicalCompound:acdLogD	1.963
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	385.282
chemicalCompound:chemblId	CHEMBL82598
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:231013
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:405271, activity:405272, activity:405273, activity:405274, activity:405275, activity:405276, activity:418528, activity:418529, activity:418530, activity:418531, activity:418532, activity:426277, activity:426278, activity:426279, activity:426280, activity:426281, activity:426282, activity:426283, activity:681949, activity:681950