453911

Source:http://linkedlifedata.com/resource/chembl/compound/453911

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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:453911_Bendamustine_INN
chemicalCompound:standardIn...	InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
chemicalCompound:standardIn...	YTKUWDBFDASYHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c(CCCC(=O)O)nc2cc(ccc12)N(CCCl)CCCl
chemicalCompound:molecularF...	C16H21Cl2N3O2
chemicalCompound:moleculeId	453911
chemicalCompound:mwFreebase	358.263
chemicalCompound:alogp	3.606
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	58.36
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.497
chemicalCompound:acdLogP	2.383
chemicalCompound:acdLogD	-0.215
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	358.263
chemicalCompound:acdMostBpk...	7.242
chemicalCompound:chemblId	CHEMBL487253
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:553911
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BENDAMUSTINE
chemicalCompound:firstAppro...	2008
chemicalCompound:activity	activity:2589722, activity:5317121, activity:5318072, activity:5319023, activity:5517617, activity:5769243, activity:6338340, activity:6338341, activity:6338342, activity:6338359, activity:6696139, activity:9342522