656710

Source:http://linkedlifedata.com/resource/chembl/compound/656710

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C28H32N6O6S2/c1-16(2)7-10-33-11-8-18(9-12-33)41-15-21-24(27(37)38)34-20(13-39-21)23(26(34)36)31-25(35)22(19-14-42-28(29)30-19)32-40-17-5-3-4-6-17/h7-9,11-12,14,17,20,23H,3-6,10,13,15H2,1-2H3,(H3-,29,30,31,35,37,38)/p+1/b32-22-/t20-,23+/m1/s1
chemicalCompound:standardIn...	ZKBPZLRXWQKNET-RYMMTCCHSA-O
chemicalCompound:canonicalS...	CC(=CC[n+]1ccc(SCC2=C(N3[C@H](CO2)[C@H](NC(=O)\C(=N/OC4CCCC4)\c5csc(N)n5)C3=O)C(=O)O)cc1)C
chemicalCompound:molecularF...	C28H33N6O6S2
chemicalCompound:moleculeId	656710
chemicalCompound:mwFreebase	613.728
chemicalCompound:alogp	2.921
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	213.86
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.127
chemicalCompound:acdLogP	-1.62
chemicalCompound:acdLogD	-1.061
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	613.728
chemicalCompound:acdMostBpk...	1.74
chemicalCompound:chemblId	CHEMBL1182760
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:756710
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No