300682

Source:http://linkedlifedata.com/resource/chembl/compound/300682

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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/C21H30N6O6/c1-7-15(19(31)23-13(12(3)28)8-17(29)30)27-10-16(21(4,5)6)24-18(20(27)32)22-9-14-11(2)25-33-26-14/h10,13,15H,7-9H2,1-6H3,(H,22,24)(H,23,31)(H,29,30)/t13-,15?/m0/s1
chemicalCompound:standardIn...	SHHIOGGLCRQOHT-CFMCSPIPSA-N
chemicalCompound:canonicalS...	CCC(N1C=C(N=C(NCc2nonc2C)C1=O)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)C
chemicalCompound:molecularF...	C21 H30 N6 O6
chemicalCompound:moleculeId	300682
chemicalCompound:mwFreebase	462.499
chemicalCompound:alogp	-0.554
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	167.08
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.277
chemicalCompound:acdLogP	1.329
chemicalCompound:acdLogD	-1.703
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	462.499
chemicalCompound:acdMostBpk...	1.407
chemicalCompound:chemblId	CHEMBL178339
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:400682
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:1420483, activity:1420484, activity:1420485, activity:1420486, activity:1420487