607723

Source:http://linkedlifedata.com/resource/chembl/compound/607723

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:607702
chemicalCompound:standardIn...	InChI=1S/C29H35N5O8.C2H4O2/c1-29(2,27(39)31-22-12-13-34(28(40)32-22)26-24(37)23(36)21(15-35)42-26)33-25(38)20(30)14-17-8-10-19(11-9-17)41-16-18-6-4-3-5-7-18;1-2(3)4/h3-13,20-21,23-24,26,35-37H,14-16,30H2,1-2H3,(H,33,38)(H,31,32,39,40);1H3,(H,3,4)/t20-,21+,23+,24-,26?;/m0./s1
chemicalCompound:standardIn...	DPVLVLQHEFNCIY-NLFOFCIJSA-N
chemicalCompound:canonicalS...	CC(=O)O.CC(C)(NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)NC3=NC(=O)N(C=C3)C4O[C@H](CO)[C@@H](O)[C@@H]4O
chemicalCompound:molecularF...	C31H39N5O10
chemicalCompound:moleculeId	607723
chemicalCompound:mwFreebase	581.617
chemicalCompound:alogp	0.095
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	196.04
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.686
chemicalCompound:acdLogP	1.194
chemicalCompound:acdLogD	1.04
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	641.669
chemicalCompound:acdMostBpk...	7.019
chemicalCompound:chemblId	CHEMBL608199
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707723
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:905926