185221

Source:http://linkedlifedata.com/resource/chembl/compound/185221

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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/C30H40N2O6/c1-4-6-14-31(15-7-5-2)27(33)20-32-19-24(22-10-13-25-26(18-22)38-17-16-37-25)28(30(34)35)29(32)21-8-11-23(36-3)12-9-21/h8-13,18,24,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1
chemicalCompound:standardIn...	DFPCVVZATIUBJZ-USOMCTOXSA-N
chemicalCompound:canonicalS...	CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c2ccc(OC)cc2)C(=O)O)c3ccc4OCCOc4c3
chemicalCompound:molecularF...	C30 H40 N2 O6
chemicalCompound:moleculeId	185221
chemicalCompound:mwFreebase	524.648
chemicalCompound:alogp	1.722
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	88.54
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.47
chemicalCompound:acdLogP	4.021
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	524.648
chemicalCompound:acdMostBpk...	6.826
chemicalCompound:chemblId	CHEMBL113611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:285221
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:313557, activity:313558, activity:664819, activity:664820