248073

Source:http://linkedlifedata.com/resource/chembl/compound/248073

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:248073_MCL-133_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C35H46N2O2/c38-26-10-8-24-20-32-28-6-1-3-12-34(28,30(24)22-26)14-18-36(32)16-5-17-37-19-15-35-13-4-2-7-29(35)33(37)21-25-9-11-27(39)23-31(25)35/h8-11,22-23,28-29,32-33,38-39H,1-7,12-21H2/t28-,29-,32+,33+,34+,35+/m0/s1
chemicalCompound:standardIn...	PNJOCKWLEAAKCR-QTIGFWLISA-N
chemicalCompound:canonicalS...	Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCN5CC[C@]67CCCC[C@H]6[C@H]5Cc8ccc(O)cc78)c2c1
chemicalCompound:molecularF...	C35 H46 N2 O2
chemicalCompound:moleculeId	248073
chemicalCompound:mwFreebase	526.752
chemicalCompound:alogp	6.778
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	46.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.874
chemicalCompound:acdLogP	6.716
chemicalCompound:acdLogD	4.921
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	526.752
chemicalCompound:acdMostBpk...	9.164
chemicalCompound:chemblId	CHEMBL424327
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:348073
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:724267, activity:724268, activity:724269, activity:724270, activity:724271