650407

Source:http://linkedlifedata.com/resource/chembl/compound/650407

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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:674246
chemicalCompound:standardIn...	InChI=1S/C32H40N4O.ClH/c37-32-25(19-18-24-13-12-22-34-30(24)32)23-33-20-10-4-2-1-3-5-11-21-35-31-26-14-6-8-16-28(26)36-29-17-9-7-15-27(29)31;/h6,8,12-14,16,18-19,22,33,37H,1-5,7,9-11,15,17,20-21,23H2,(H,35,36);1H
chemicalCompound:standardIn...	BQIZNMDISMFNQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc4ccccc24)ccc5cccnc15
chemicalCompound:molecularF...	C32H41ClN4O
chemicalCompound:moleculeId	650407
chemicalCompound:mwFreebase	496.686
chemicalCompound:alogp	7.399
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	70.07
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.751
chemicalCompound:acdLogP	6.845
chemicalCompound:acdLogD	3.086
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	533.147
chemicalCompound:acdMostBpk...	9.911
chemicalCompound:chemblId	CHEMBL1173662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:750407
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:3364323, activity:3364341, activity:3364356, activity:3364361, activity:3364366, activity:3364370, activity:3364375, activity:3364380, activity:3364381, activity:3364382, activity:3364383, activity:3364384, activity:3364385, activity:3364400