300646

Source:http://linkedlifedata.com/resource/chembl/compound/300646

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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/C27H34N2O8S2/c1-17(2)26(29-24(31)13-19-12-20(39(4,35)36)10-11-23(19)37-3)27(34)28-21(14-25(32)33)22(30)16-38-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1
chemicalCompound:standardIn...	JYGKCHPWCXRSQJ-LVXARBLLSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccccc2)S(=O)(=O)C
chemicalCompound:molecularF...	C27 H34 N2 O8 S2
chemicalCompound:moleculeId	300646
chemicalCompound:mwFreebase	578.697
chemicalCompound:alogp	2.481
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	189.61
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.071
chemicalCompound:acdLogP	2.599
chemicalCompound:acdLogD	-0.665
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	578.697
chemicalCompound:chemblId	CHEMBL425699
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:400646
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:1420602, activity:1420603, activity:1420604, activity:1420605, activity:1420606