556410

Source:http://linkedlifedata.com/resource/chembl/compound/556410

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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/C23H30N6O5S/c24-15(23(32)33)8-10-35-11-16-18(30)19(31)22(34-16)29-13-28-17-20(26-12-27-21(17)29)25-9-4-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,15-16,18-19,22,30-31H,4,7-11,24H2,(H,32,33)(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1
chemicalCompound:standardIn...	QAVAAPUGVSFKKD-SYDIUPFYSA-N
chemicalCompound:canonicalS...	NC(CCSC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3c(NCCCc4ccccc4)ncnc23)C(=O)O
chemicalCompound:molecularF...	C23H30N6O5S
chemicalCompound:moleculeId	556410
chemicalCompound:mwFreebase	502.586
chemicalCompound:alogp	-1.44
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	193.93
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.223
chemicalCompound:acdLogP	2.263
chemicalCompound:acdLogD	-0.24
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	502.586
chemicalCompound:acdMostBpk...	9.474
chemicalCompound:chemblId	CHEMBL560105
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:656410
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:2676552, activity:2676572