522660

Source:http://linkedlifedata.com/resource/chembl/compound/522660

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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/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1
chemicalCompound:standardIn...	PVXGCBZIVFCMJK-NMWXTPPCSA-N
chemicalCompound:canonicalS...	CCCCCCOC(C)C1=C(C)c2cc3nc([C@H](CCC(=O)O)[C@@H]3C)c4CC(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45
chemicalCompound:molecularF...	C39H48N4O4
chemicalCompound:moleculeId	522660
chemicalCompound:mwFreebase	636.823
chemicalCompound:alogp	9.679
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	120.96
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.828
chemicalCompound:fullMwt	636.823
chemicalCompound:chemblId	CHEMBL500853
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:622660
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:2298295, activity:2298296, activity:2298297, activity:2298305, activity:2298306, activity:2298308, activity:2298309, activity:2298314