678513

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

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
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
chemicalCompound:standardIn...	CRNIQHGKEZGLST-HXUWFJFHSA-N
chemicalCompound:canonicalS...	CC(C)c1nc2c(Cc3ccccc23)c(c4ccc(F)cc4)c1C#CP(=O)(O)C[C@H](O)CC(=O)O
chemicalCompound:molecularF...	C27H25FNO5P
chemicalCompound:moleculeId	678513
chemicalCompound:mwFreebase	493.463
chemicalCompound:alogp	4.773
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	117.53
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.979
chemicalCompound:acdLogP	4.744
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	493.463
chemicalCompound:acdMostBpk...	3.909
chemicalCompound:chemblId	CHEMBL1204562
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:778513
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No