418708

Source:http://linkedlifedata.com/resource/chembl/compound/418708

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C36H40Cl2N4O5/c37-28-14-13-27(31(38)20-28)15-17-40-24-35(45)42(18-16-30(25-8-3-1-4-9-25)26-10-5-2-6-11-26)32(21-34(40)44)36(46)41(23-33(39)43)22-29-12-7-19-47-29/h1-6,8-11,13-14,20,29-30,32H,7,12,15-19,21-24H2,(H2,39,43)
chemicalCompound:standardIn...	LDTMVMCGYNZNOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)CN(CC1CCCO1)C(=O)C2CC(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2CCC(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C36 H40 Cl2 N4 O5
chemicalCompound:moleculeId	418708
chemicalCompound:mwFreebase	679.633
chemicalCompound:alogp	4.271
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	113.25
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.188
chemicalCompound:acdLogD	5.188
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	679.633
chemicalCompound:chemblId	CHEMBL252123
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518708
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:2068328, activity:2068336