140045

Source:http://linkedlifedata.com/resource/chembl/compound/140045

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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/C47H46N6O5/c1-31-19-21-41(48-27-31)50-45(56)37-17-9-15-35(23-37)29-52-39(25-33-11-5-3-6-12-33)43(54)44(55)40(26-34-13-7-4-8-14-34)53(47(52)58)30-36-16-10-18-38(24-36)46(57)51-42-22-20-32(2)28-49-42/h3-24,27-28,39-40,43-44,54-55H,25-26,29-30H2,1-2H3,(H,48,50,56)(H,49,51,57)/t39-,40-,43+,44+/m1/s1
chemicalCompound:standardIn...	NLVWCIHYQHCPFO-RRHZFJGQSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc5ccccc5)N(Cc6cccc(c6)C(=O)Nc7ccc(C)cn7)C3=O)c2)nc1
chemicalCompound:molecularF...	C47 H46 N6 O5
chemicalCompound:moleculeId	140045
chemicalCompound:mwFreebase	774.905
chemicalCompound:alogp	6.931
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	147.99
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.915
chemicalCompound:acdLogP	7.476
chemicalCompound:acdLogD	7.474
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	774.905
chemicalCompound:acdMostBpk...	3.957
chemicalCompound:chemblId	CHEMBL85653
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:240045
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:469459, activity:469460, activity:469461, activity:469462, activity:469463, activity:469464, activity:538961, activity:890608, activity:890609, activity:890610, activity:890611