203357

Source:http://linkedlifedata.com/resource/chembl/compound/203357

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/C18H23NO3/c1-12(2)14-5-7-15(8-6-14)18(21)19-11-13-4-9-16(20)17(10-13)22-3/h4,7,9-10,14,20H,1,5-6,8,11H2,2-3H3,(H,19,21)/t14-/m0/s1
chemicalCompound:standardIn...	YJPBPTUTOHNSTA-AWEZNQCLSA-N
chemicalCompound:canonicalS...	COc1cc(CNC(=O)C2=CC[C@@H](CC2)C(=C)C)ccc1O
chemicalCompound:molecularF...	C18 H23 N O3
chemicalCompound:moleculeId	203357
chemicalCompound:mwFreebase	301.38
chemicalCompound:alogp	3.549
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.757
chemicalCompound:acdLogP	3.112
chemicalCompound:acdLogD	3.11
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.38
chemicalCompound:chemblId	CHEMBL123157
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303357
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:1218906, activity:1218907