1248760

Source:http://linkedlifedata.com/resource/chembl/compound/1248760

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
chemicalCompound:standardIn...	VVIAGPKUTFNRDU-STQMWFEESA-N
chemicalCompound:canonicalS...	NC1=NC(=O)C2=C(NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C=O)N1
chemicalCompound:molecularF...	C20H23N7O7
chemicalCompound:moleculeId	1248760
chemicalCompound:mwFreebase	473.439
chemicalCompound:alogp	-1.613
chemicalCompound:hba	12
chemicalCompound:hbd	7
chemicalCompound:psa	215.55
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.509
chemicalCompound:acdLogP	-1.429
chemicalCompound:acdLogD	-6.048
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	473.439
chemicalCompound:acdMostBpk...	5.66
chemicalCompound:chemblId	CHEMBL1908841
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1348760
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:firstAppro...	2008