73843

Source:http://linkedlifedata.com/resource/chembl/compound/73843

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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/C43H72N4O7/c1-6-7-19-39(54-40(29-34-17-12-9-13-18-34)43(51)47-24-20-35(21-25-47)53-31-52-5)41(49)44-37(28-33-15-10-8-11-16-33)38(48)30-36(32(2)3)42(50)46-23-14-22-45(4)26-27-46/h9,12-13,17-18,32-33,35-40,48H,6-8,10-11,14-16,19-31H2,1-5H3,(H,44,49)/t36-,37-,38-,39-,40-/m0/s1
chemicalCompound:standardIn...	RUGHFXHNZVGBJM-HECCNADXSA-N
chemicalCompound:canonicalS...	CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N2CCC(CC2)OCOC)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(C)C)C(=O)N4CCCN(C)CC4
chemicalCompound:molecularF...	C43 H72 N4 O7
chemicalCompound:moleculeId	73843
chemicalCompound:mwFreebase	757.054
chemicalCompound:alogp	5.149
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	120.88
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.7
chemicalCompound:acdLogD	4.697
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	757.054
chemicalCompound:acdMostBpk...	8.457
chemicalCompound:chemblId	CHEMBL51935
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:173843
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:52437, activity:52438, activity:52439, activity:52440