364383

Source:http://linkedlifedata.com/resource/chembl/compound/364383

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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/C33H37N3O9S/c1-21(2)17-35(46(41,42)26-13-14-29-30(16-26)44-20-43-29)18-28(38)27(15-23-7-5-4-6-8-23)34-32(39)31-19-36(33(40)45-31)25-11-9-24(10-12-25)22(3)37/h4-14,16,21,27-28,31,38H,15,17-20H2,1-3H3,(H,34,39)/t27-,28+,31-/m0/s1
chemicalCompound:standardIn...	AIOQZNXKOQUMQK-QXIHQKPUSA-N
chemicalCompound:canonicalS...	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)S(=O)(=O)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C33H37N3O9S
chemicalCompound:moleculeId	364383
chemicalCompound:mwFreebase	651.727
chemicalCompound:alogp	3.701
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	160.15
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.025
chemicalCompound:acdLogP	4.16
chemicalCompound:acdLogD	4.16
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	651.727
chemicalCompound:chemblId	CHEMBL385789
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464383
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:1795387, activity:2496804, activity:2496964