251090

Source:http://linkedlifedata.com/resource/chembl/compound/251090

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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/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31+,32-,33-,34?,35?,36-/m1/s1
chemicalCompound:standardIn...	AHAVBKNGKPWROK-ZDQTVZPGSA-N
chemicalCompound:canonicalS...	O[C@H](C[C@@H](OCc1ccccc1)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](OCc4ccccc4)C(=O)NC5[C@@H](O)Cc6ccccc56
chemicalCompound:molecularF...	C38 H40 N2 O7
chemicalCompound:moleculeId	251090
chemicalCompound:mwFreebase	636.733
chemicalCompound:alogp	3.381
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	137.35
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.081
chemicalCompound:acdLogP	4.668
chemicalCompound:acdLogD	4.668
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	636.733
chemicalCompound:chemblId	CHEMBL356895
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:351090
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:172275, activity:172276, activity:172277, activity:172278