678513

Source:http://linkedlifedata.com/resource/chembl/compound/678513

Download in:

Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:678513	chemicalCompound:standardIn...	InChI=1S/C27H25FNO5P/c1-16(2)26-22(11-12-35(33,34)15-20(30)14-24(31)32)25(17-7-9-19(28)10-8-17)23-13-18-5-3-4-6-21(18)27(23)29-26/h3-10,16,20,30H,13-15H2,1-2H3,(H,31,32)(H,33,34)/t20-/m1/s1	lld:chembl
chemicalCompound:678513	chemicalCompound:standardIn...	CRNIQHGKEZGLST-HXUWFJFHSA-N	lld:chembl
chemicalCompound:678513	chemicalCompound:canonicalS...	CC(C)c1nc2c(Cc3ccccc23)c(c4ccc(F)cc4)c1C#CP(=O)(O)C[C@H](O)CC(=O)O	lld:chembl
chemicalCompound:678513	chemicalCompound:molecularF...	C27H25FNO5P	lld:chembl
chemicalCompound:678513	chemicalCompound:moleculeId	678513	lld:chembl
chemicalCompound:678513	chemicalCompound:mwFreebase	493.463	lld:chembl
chemicalCompound:678513	chemicalCompound:alogp	4.773	lld:chembl
chemicalCompound:678513	chemicalCompound:hba	6	lld:chembl
chemicalCompound:678513	chemicalCompound:hbd	3	lld:chembl
chemicalCompound:678513	chemicalCompound:psa	117.53	lld:chembl
chemicalCompound:678513	chemicalCompound:rtb	8	lld:chembl
chemicalCompound:678513	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:678513	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:678513	chemicalCompound:medChemFri...	N	lld:chembl
chemicalCompound:678513	chemicalCompound:acdMostApk...	0.979	lld:chembl
chemicalCompound:678513	chemicalCompound:acdLogP	4.744	lld:chembl
chemicalCompound:678513	chemicalCompound:acdLogD	0	lld:chembl
chemicalCompound:678513	chemicalCompound:molecularS...	molecularSpecies:ACID	lld:chembl
chemicalCompound:678513	chemicalCompound:fullMwt	493.463	lld:chembl
chemicalCompound:678513	chemicalCompound:acdMostBpk...	3.909	lld:chembl
chemicalCompound:678513	chemicalCompound:chemblId	CHEMBL1204562	lld:chembl
chemicalCompound:678513	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:678513	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:678513	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:678513	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:678513	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:678513	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:678513	chemicalCompound:oral	No	lld:chembl
chemicalCompound:678513	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:678513	chemicalCompound:topical	No	lld:chembl
chemicalCompound:678513	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:678513	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:678513	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:154940	chemicalCompound:parent	chemicalCompound:678513	lld:chembl