216430

Source:http://linkedlifedata.com/resource/chembl/compound/216430

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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/C36H42N2O8S/c39-19-17-27-9-7-11-29(21-27)23-37-33(25-45-31-13-3-1-4-14-31)35(41)36(42)34(26-46-32-15-5-2-6-16-32)38(47(37,43)44)24-30-12-8-10-28(22-30)18-20-40/h1-16,21-22,33-36,39-42H,17-20,23-26H2/t33-,34-,35+,36+/m1/s1
chemicalCompound:standardIn...	HOSLSXONLCDFQY-NWJWHWDBSA-N
chemicalCompound:canonicalS...	OCCc1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc4ccccc4)N(Cc5cccc(CCO)c5)S2(=O)=O)c1
chemicalCompound:molecularF...	C36 H42 N2 O8 S
chemicalCompound:moleculeId	216430
chemicalCompound:mwFreebase	662.792
chemicalCompound:alogp	3.68
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	148.38
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.793
chemicalCompound:acdLogP	5.104
chemicalCompound:acdLogD	5.104
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	662.792
chemicalCompound:chemblId	CHEMBL337872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:316430
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:175860, activity:175861, activity:175862, activity:175863, activity:1003598