158413

Source:http://linkedlifedata.com/resource/chembl/compound/158413

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C30H30N2O4/c33-22-7-12-25-20(18-22)4-11-27-26-13-8-23(34)19-28(26)30(35)32(29(25)27)21-5-9-24(10-6-21)36-17-16-31-14-2-1-3-15-31/h5-10,12-13,18-19,33-34H,1-4,11,14-17H2
chemicalCompound:standardIn...	WSROZOIOMLHLDF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C3=C(CCc2c1)c4ccc(O)cc4C(=O)N3c5ccc(OCCN6CCCCC6)cc5
chemicalCompound:molecularF...	C30 H30 N2 O4
chemicalCompound:moleculeId	158413
chemicalCompound:mwFreebase	482.57
chemicalCompound:alogp	5.374
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	73.24
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.606
chemicalCompound:acdLogP	4.903
chemicalCompound:acdLogD	3.63
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	482.57
chemicalCompound:acdMostBpk...	8.678
chemicalCompound:chemblId	CHEMBL97364
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:258413
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:1053302, activity:1053303