100826

Source:http://linkedlifedata.com/resource/chembl/compound/100826

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:100826_U-77647E_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C40H62N8O7/c1-8-25(6)35(36(41)51)47-37(52)29(24(4)5)20-34(50)30(17-23(2)3)44-39(54)32(19-28-21-42-22-43-28)45-38(53)31(18-27-13-10-9-11-14-27)46-40(55)33-15-12-16-48(33)26(7)49/h9-11,13-14,21-25,29-35,50H,8,12,15-20H2,1-7H3,(H2,41,51)(H,42,43)(H,44,54)(H,45,53)(H,46,55)(H,47,52)/t25?,29?,30?,31?,32?,33-,34?,35?/m1/s1
chemicalCompound:standardIn...	ORXRRFXMVQFHKZ-RQQRXBESSA-N
chemicalCompound:canonicalS...	CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc2ccccc2)NC(=O)[C@H]3CCCN3C(=O)C)C(C)C)C(=O)N
chemicalCompound:molecularF...	C40 H62 N8 O7
chemicalCompound:moleculeId	100826
chemicalCompound:mwFreebase	766.97
chemicalCompound:alogp	2
chemicalCompound:hba	8
chemicalCompound:hbd	7
chemicalCompound:psa	228.7
chemicalCompound:rtb	21
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.194
chemicalCompound:acdLogP	2.809
chemicalCompound:acdLogD	2.729
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	766.97
chemicalCompound:acdMostBpk...	6.7
chemicalCompound:chemblId	CHEMBL305305
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200826
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:1074467