315018

Source:http://linkedlifedata.com/resource/chembl/compound/315018

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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/C30H39Cl2N5O3/c31-24-10-9-23(25(32)20-24)19-26(35-27(38)11-14-33)29(40)36-15-17-37(18-16-36)30(12-5-2-6-13-30)21-34-28(39)22-7-3-1-4-8-22/h1,3-4,7-10,20,26H,2,5-6,11-19,21,33H2,(H,34,39)(H,35,38)/t26-/m1/s1
chemicalCompound:standardIn...	RWUZHUJWLDWFTL-AREMUKBSSA-N
chemicalCompound:canonicalS...	NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N2CCN(CC2)C3(CNC(=O)c4ccccc4)CCCCC3
chemicalCompound:molecularF...	C30 H39 Cl2 N5 O3
chemicalCompound:moleculeId	315018
chemicalCompound:mwFreebase	588.568
chemicalCompound:alogp	3.823
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	107.77
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.205
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	588.568
chemicalCompound:acdMostBpk...	8.862
chemicalCompound:chemblId	CHEMBL425353
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:415018
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:1472550, activity:1472551