572477

Source:http://linkedlifedata.com/resource/chembl/compound/572477

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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/C23H34Cl2N3O4PS/c1-27-11-7-23-6-5-18(32-33(29,34-14-10-26)28(12-8-24)13-9-25)15-20(23)31-22-19(30-2)4-3-17(16-27)21(22)23/h3-6,18,20H,7-16,26H2,1-2H3/t18-,20-,23-,33?/m0/s1
chemicalCompound:standardIn...	ODFMTQKYSYZABQ-KQYVQNMBSA-N
chemicalCompound:canonicalS...	COc1ccc2CN(C)CC[C@@]34C=C[C@@H](C[C@@H]3Oc1c24)OP(=O)(SCCN)N(CCCl)CCCl
chemicalCompound:molecularF...	C23H34Cl2N3O4PS
chemicalCompound:moleculeId	572477
chemicalCompound:mwFreebase	550.479
chemicalCompound:alogp	2.44
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	112.37
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.848
chemicalCompound:acdLogD	0.59
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	550.479
chemicalCompound:acdMostBpk...	8.091
chemicalCompound:chemblId	CHEMBL573279
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:672477
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:2946029, activity:2946042, activity:2946055, activity:2946068, activity:2946104, activity:2946105, activity:2946106, activity:2946107, activity:2946148, activity:2946162, activity:2946176, activity:2946190, activity:2946219, activity:2946220, activity:2946221, activity:2946222, activity:2946260, activity:2946274, activity:2946288, activity:2946302