523780

Source:http://linkedlifedata.com/resource/chembl/compound/523780

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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/C30H27Cl2N5O6/c31-17-8-4-14(5-9-17)12-16-2-1-3-19-21(15-6-10-18(32)11-7-15)22-27(33-23(16)19)34-30-36-35-28(37(30)29(22)43)26(42)25(41)24(40)20(39)13-38/h4-12,20,24-26,38-42H,1-3,13H2,(H,33,34,36)/b16-12+/t20-,24-,25-,26-/m1/s1
chemicalCompound:standardIn...	YTLDBUGETRFBDT-KJYVFFTCSA-N
chemicalCompound:canonicalS...	OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1=NNC2=Nc3nc4\C(=C\c5ccc(Cl)cc5)\CCCc4c(c6ccc(Cl)cc6)c3C(=O)N12
chemicalCompound:molecularF...	C30H27Cl2N5O6
chemicalCompound:moleculeId	523780
chemicalCompound:mwFreebase	624.471
chemicalCompound:alogp	3.93
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	171.1
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.88
chemicalCompound:acdLogP	2.172
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	624.471
chemicalCompound:chemblId	CHEMBL505261
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:623780
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:2290169, activity:2290180, activity:2290190, activity:2290200, activity:2290210, activity:2290220, activity:2290231, activity:2290242, activity:2290253, activity:2290264, activity:2290271, activity:2308583, activity:2308593, activity:2308604, activity:2308615, activity:2308626