243305

Source:http://linkedlifedata.com/resource/chembl/compound/243305

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/C15H24N2O5/c1-2-3-4-5-6-10-8-17(15(21)16-14(10)20)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,2-7,9H2,1H3,(H,16,20,21)
chemicalCompound:standardIn...	DZGIFYLUHQAETO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O
chemicalCompound:molecularF...	C15 H24 N2 O5
chemicalCompound:moleculeId	243305
chemicalCompound:mwFreebase	312.361
chemicalCompound:alogp	1.043
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	99.1
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.571
chemicalCompound:acdLogP	1.704
chemicalCompound:acdLogD	1.701
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.361
chemicalCompound:chemblId	CHEMBL143114
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343305
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:141261, activity:141262, activity:141263, activity:141264, activity:141265, activity:141266, activity:141267, activity:141268, activity:538474, activity:538475, activity:538476, activity:538477, activity:538478, activity:538479, activity:538480, activity:538481, activity:538482, activity:538483, activity:538484, activity:538485, activity:8241539, activity:8368976, activity:8392143, activity:8456217, activity:8480654, activity:8565594, activity:8630463, activity:8646363, activity:8713432, activity:8715315, activity:8751121, activity:8762534, activity:8848512, activity:8855307, activity:8890587, activity:8954339, activity:8991467, activity:9038405, activity:9058989, activity:9171219, activity:9173038, activity:9277004, activity:9279565, activity:9323661, activity:9413323, activity:9420073, activity:9496472, activity:9498998, activity:9529965, activity:9660757, activity:9671287, activity:9703807, activity:9746049, activity:9775503, activity:9854823, activity:9883859, activity:9917727, activity:10020978, activity:10036541, activity:10068509, activity:10109171, activity:10155388, activity:10241844, activity:10266149, activity:10289355, activity:10364767, activity:10388346