513872

Source:http://linkedlifedata.com/resource/chembl/compound/513872

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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/C25H19Cl2FN6O/c1-12-18-11-16(4-6-20(18)34-33-12)31-25(35)22-13(2)30-24(14-7-8-29-21(27)9-14)32-23(22)17-5-3-15(26)10-19(17)28/h3-11,23H,1-2H3,(H,30,32)(H,31,35)(H,33,34)
chemicalCompound:standardIn...	VLMQNCCSDWVDDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(C(N=C(N1)c2ccnc(Cl)c2)c3ccc(Cl)cc3F)C(=O)Nc4ccc5[nH]nc(C)c5c4
chemicalCompound:molecularF...	C25H19Cl2FN6O
chemicalCompound:moleculeId	513872
chemicalCompound:mwFreebase	509.362
chemicalCompound:alogp	4.442
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	95.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.692
chemicalCompound:acdLogP	3.781
chemicalCompound:acdLogD	3.78
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	509.362
chemicalCompound:acdMostBpk...	4.214
chemicalCompound:chemblId	CHEMBL485611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613872
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:2476010