572378

Source:http://linkedlifedata.com/resource/chembl/compound/572378

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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/C23H35Cl2N4O4P/c1-28-12-7-23-6-5-18(33-34(30,27-11-10-26)29(13-8-24)14-9-25)15-20(23)32-22-19(31-2)4-3-17(16-28)21(22)23/h3-6,18,20H,7-16,26H2,1-2H3,(H,27,30)/t18-,20-,23-,34?/m0/s1
chemicalCompound:standardIn...	ANYDLMLIHHQQFA-OZMWKAMBSA-N
chemicalCompound:canonicalS...	COc1ccc2CN(C)CC[C@@]34C=C[C@@H](C[C@@H]3Oc1c24)OP(=O)(NCCN)N(CCCl)CCCl
chemicalCompound:molecularF...	C23H35Cl2N4O4P
chemicalCompound:moleculeId	572378
chemicalCompound:mwFreebase	533.428
chemicalCompound:alogp	1.234
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	99.1
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.876
chemicalCompound:acdLogD	-1.227
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	533.428
chemicalCompound:acdMostBpk...	9.016
chemicalCompound:chemblId	CHEMBL565445
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:672378
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:2946030, activity:2946043, activity:2946056, activity:2946069, activity:2946108, activity:2946109, activity:2946110, activity:2946111, activity:2946149, activity:2946163, activity:2946177, activity:2946191, activity:2946223, activity:2946224, activity:2946225, activity:2946226, activity:2946261, activity:2946275, activity:2946289, activity:2946303