324725

Source:http://linkedlifedata.com/resource/chembl/compound/324725

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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/C34H49N5O7S2/c1-23(2)20-39(48(42,43)25-12-13-27-31(19-25)47-33(35-27)38(5)16-9-15-37(3)4)21-29(40)28(18-24-10-7-6-8-11-24)36-34(41)46-30-22-45-32-26(30)14-17-44-32/h6-8,10-13,19,23,26,28-30,32,40H,9,14-18,20-22H2,1-5H3,(H,36,41)/t26-,28-,29+,30-,32+/m0/s1
chemicalCompound:standardIn...	HBJMMMAJSBLTMB-OFGMPYHFSA-N
chemicalCompound:canonicalS...	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc5nc(sc5c4)N(C)CCCN(C)C
chemicalCompound:molecularF...	C34 H49 N5 O7 S2
chemicalCompound:moleculeId	324725
chemicalCompound:mwFreebase	703.912
chemicalCompound:alogp	3.747
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	170.39
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.397
chemicalCompound:acdLogP	5.177
chemicalCompound:acdLogD	3.209
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	703.912
chemicalCompound:acdMostBpk...	9.45
chemicalCompound:chemblId	CHEMBL382110
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:424725
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:1517377, activity:1517378, activity:1517379, activity:1517380, activity:1517381, activity:1519431, activity:1519432, activity:1519433, activity:1519434, activity:1519435, activity:1519436, activity:1519437, activity:1519438, activity:1519439, activity:1519440, activity:1519441, activity:1519442