385318

Source:http://linkedlifedata.com/resource/chembl/compound/385318

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:656301
chemicalCompound:standardIn...	InChI=1S/C16H15F3N6.C2HF3O2/c17-11-6-13(19)12(18)5-10(11)9-3-4-24(7-14(9)20)16-2-1-15-22-21-8-25(15)23-16;3-2(4,5)1(6)7/h1-2,5-6,8-9,14H,3-4,7,20H2;(H,6,7)/t9-,14+;/m1./s1
chemicalCompound:standardIn...	SURWRAFGRXAHFN-ZISODDOFSA-N
chemicalCompound:canonicalS...	N[C@H]1CN(CC[C@@H]1c2cc(F)c(F)cc2F)c3ccc4nncn4n3.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C18H16F6N6O2
chemicalCompound:moleculeId	385318
chemicalCompound:mwFreebase	348.326
chemicalCompound:alogp	1.868
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.34
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-0.744
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	462.349
chemicalCompound:acdMostBpk...	9.243
chemicalCompound:chemblId	CHEMBL231496
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:485318
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:1905792, activity:1905825, activity:1905858, activity:1905891