650558

Source:http://linkedlifedata.com/resource/chembl/compound/650558

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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:674200
chemicalCompound:standardIn...	InChI=1S/C31H39N5O.ClH/c1-22-13-14-23-15-16-24(31(37)29(23)34-22)21-32-17-7-19-36(2)20-8-18-33-30-25-9-3-5-11-27(25)35-28-12-6-4-10-26(28)30;/h3,5,9,11,13-16,32,37H,4,6-8,10,12,17-21H2,1-2H3,(H,33,35);1H
chemicalCompound:standardIn...	ZJBAQEMGHUCSAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(CCCNCc1ccc2ccc(C)nc2c1O)CCCNc3c4CCCCc4nc5ccccc35
chemicalCompound:molecularF...	C31H40ClN5O
chemicalCompound:moleculeId	650558
chemicalCompound:mwFreebase	497.674
chemicalCompound:alogp	5.022
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	73.31
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.876
chemicalCompound:acdLogP	5.196
chemicalCompound:acdLogD	0.592
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	534.135
chemicalCompound:acdMostBpk...	9.941
chemicalCompound:chemblId	CHEMBL1173100
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:750558
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:3364331, activity:3364349, activity:3364393