201676

Source:http://linkedlifedata.com/resource/chembl/compound/201676

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/C26H27NO3/c1-29-22-16-14-21(15-17-22)27-25(20-11-7-12-23(18-20)30-2)24(26(27)28)13-6-10-19-8-4-3-5-9-19/h3-5,7-9,11-12,14-18,24-25H,6,10,13H2,1-2H3/t24-,25-/m1/s1
chemicalCompound:standardIn...	SNFHUYKHZAAHSU-JWQCQUIFSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2[C@@H]([C@@H](CCCc3ccccc3)C2=O)c4cccc(OC)c4
chemicalCompound:molecularF...	C26 H27 N O3
chemicalCompound:moleculeId	201676
chemicalCompound:mwFreebase	401.497
chemicalCompound:alogp	5.533
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.99
chemicalCompound:acdLogD	5.99
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.497
chemicalCompound:acdMostBpk...	0.331
chemicalCompound:chemblId	CHEMBL431480
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301676
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:1201306, activity:1201307, activity:1201308