688280

Source:http://linkedlifedata.com/resource/chembl/compound/688280

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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/C25H21ClFN5O3/c26-16-4-6-17(7-5-16)29-24(34)19-14-31(12-10-28)15-20(19)25(35)30-22-9-8-18(13-21(22)27)32-11-2-1-3-23(32)33/h1-9,11,13,19-20H,12,14-15H2,(H,29,34)(H,30,35)/t19-,20-/m0/s1
chemicalCompound:standardIn...	ZUVHCCJTKFGFNF-PMACEKPBSA-N
chemicalCompound:canonicalS...	Fc1cc(ccc1NC(=O)[C@H]2CN(CC#N)C[C@@H]2C(=O)Nc3ccc(Cl)cc3)N4C=CC=CC4=O
chemicalCompound:molecularF...	C25H21ClFN5O3
chemicalCompound:moleculeId	688280
chemicalCompound:mwFreebase	493.917
chemicalCompound:alogp	1.959
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	105.54
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.937
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	493.917
chemicalCompound:acdMostBpk...	3.959
chemicalCompound:chemblId	CHEMBL1221850
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:788280
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:3422800, activity:3422855, activity:3422910, activity:3423072