372657

Source:http://linkedlifedata.com/resource/chembl/compound/372657

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1
chemicalCompound:standardIn...	OKBVVJOGVLARMR-VINNURBNSA-N
chemicalCompound:canonicalS...	Nc1nc(cs1)\C(=N/OCC(=O)O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C
chemicalCompound:molecularF...	C16H15N5O7S2
chemicalCompound:moleculeId	372657
chemicalCompound:mwFreebase	453.45
chemicalCompound:alogp	-0.651
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	238.05
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.797
chemicalCompound:acdLogP	-0.103
chemicalCompound:acdLogD	-4.89
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	453.45
chemicalCompound:acdMostBpk...	1.416
chemicalCompound:chemblId	CHEMBL427069
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:472657
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:472657