36255

Source:http://linkedlifedata.com/resource/chembl/compound/36255

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/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)/b9-8+
chemicalCompound:standardIn...	RDRKUMOEJLAQLK-CMDGGOBGSA-N
chemicalCompound:canonicalS...	CCCCCCCC(=O)OC1C(O)C(CO)OC1N2C=C(\C=C\Br)C(=O)NC2=O
chemicalCompound:molecularF...	C19 H27 Br N2 O7
chemicalCompound:moleculeId	36255
chemicalCompound:mwFreebase	475.331
chemicalCompound:alogp	1.527
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	125.4
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.368
chemicalCompound:acdLogP	4.335
chemicalCompound:acdLogD	4.287
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	475.331
chemicalCompound:chemblId	CHEMBL28396
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:136255
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:1076389, activity:1076390, activity:1076391, activity:1076392, activity:1076393