650408

Source:http://linkedlifedata.com/resource/chembl/compound/650408

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:674247
chemicalCompound:standardIn...	InChI=1S/C33H42N4O.ClH/c38-33-26(20-19-25-14-13-23-35-31(25)33)24-34-21-11-5-3-1-2-4-6-12-22-36-32-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)32;/h7,9,13-15,17,19-20,23,34,38H,1-6,8,10-12,16,18,21-22,24H2,(H,36,37);1H
chemicalCompound:standardIn...	QFSAQEFOOJVUFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Oc1c(CNCCCCCCCCCCNc2c3CCCCc3nc4ccccc24)ccc5cccnc15
chemicalCompound:molecularF...	C33H43ClN4O
chemicalCompound:moleculeId	650408
chemicalCompound:mwFreebase	510.713
chemicalCompound:alogp	7.855
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	70.07
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.751
chemicalCompound:acdLogP	7.355
chemicalCompound:acdLogD	3.594
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	547.174
chemicalCompound:acdMostBpk...	9.912
chemicalCompound:chemblId	CHEMBL1173663
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:750408
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:3364324, activity:3364342, activity:3364399