73339

Source:http://linkedlifedata.com/resource/chembl/compound/73339

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C44H67N3O8/c1-5-6-22-40(55-41(28-34-18-12-8-13-19-34)43(50)47-25-23-36(24-26-47)54-31-52-4)42(49)45-38(27-33-16-10-7-11-17-33)39(48)29-37(32(2)3)46-44(51)53-30-35-20-14-9-15-21-35/h8-9,12-15,18-21,32-33,36-41,48H,5-7,10-11,16-17,22-31H2,1-4H3,(H,45,49)(H,46,51)/t37-,38-,39-,40-,41-/m0/s1
chemicalCompound:standardIn...	ISWAVOIAJHNXBP-LSLOANPCSA-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](NC(=O)OCc4ccccc4)C(C)C
chemicalCompound:molecularF...	C44 H67 N3 O8
chemicalCompound:moleculeId	73339
chemicalCompound:mwFreebase	766.018
chemicalCompound:alogp	6.826
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	135.66
chemicalCompound:rtb	23
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.083
chemicalCompound:acdLogP	7.363
chemicalCompound:acdLogD	7.363
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	766.018
chemicalCompound:chemblId	CHEMBL50217
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:173339
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:32905, activity:32906