13512

Source:http://linkedlifedata.com/resource/chembl/compound/13512

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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/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2
chemicalCompound:standardIn...	JQHSODWZKVGCLV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc(cc5)C#N)n4
chemicalCompound:molecularF...	C25H21FN6O
chemicalCompound:moleculeId	13512
chemicalCompound:mwFreebase	440.472
chemicalCompound:alogp	4.07
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	88.65
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.811
chemicalCompound:acdLogD	-0.636
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	440.472
chemicalCompound:acdMostBpk...	9.909
chemicalCompound:chemblId	CHEMBL13972
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113512
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:1163044, activity:6218556, activity:6218600, activity:7536482, activity:8100623, activity:8100624, activity:8100625, activity:8100626, activity:8100627, activity:8100628, activity:8100629, activity:8100630, activity:8100631, activity:8100632, activity:8100633, activity:8100634, activity:8100635, activity:8100636, activity:8100637, activity:8100638, activity:8100639, activity:8100640, activity:8100641, activity:8100642, activity:8100643, activity:8100644, activity:8100645, activity:8100646, activity:8100647, activity:8100648, activity:8100649, activity:8100650, activity:8100651, activity:8100652, activity:8100653, activity:8100654, activity:8100655, activity:8100656, activity:8100657, activity:8100658, activity:8100659, activity:8100660, activity:8100661, activity:8100662, activity:8100663, activity:8100664, activity:8100665, activity:8100666, activity:8100667, activity:8100668, activity:8100669, activity:8100670, activity:8100671, activity:8100672, activity:8100673, activity:8100674, activity:8100675, activity:8100676, activity:8100677, activity:8100678, activity:8100679, activity:8100680, activity:8100681, activity:8100682, activity:8100683, activity:8100684, activity:8100685