1284657

Source:http://linkedlifedata.com/resource/chembl/compound/1284657

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C51H74Cl2N8O8/c1-2-3-4-5-6-17-30-57-48(64)45(34-37-21-8-7-9-22-37)61-49(65)44(60-47(63)43(55)28-15-19-33-59-51(67)69-36-39-24-11-13-26-41(39)53)29-16-20-31-56-46(62)42(54)27-14-18-32-58-50(66)68-35-38-23-10-12-25-40(38)52/h7-13,21-26,42-45H,2-6,14-20,27-36,54-55H2,1H3,(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H,60,63)(H,61,65)/t42-,43-,44-,45-/m0/s1
chemicalCompound:standardIn...	TYSJHNVALLYLGI-HRBFTXTFSA-N
chemicalCompound:canonicalS...	CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)OCc2ccccc2Cl)NC(=O)[C@@H](N)CCCCNC(=O)OCc3ccccc3Cl
chemicalCompound:molecularF...	C51H74Cl2N8O8
chemicalCompound:moleculeId	1284657
chemicalCompound:mwFreebase	998.088
chemicalCompound:alogp	7.825
chemicalCompound:hba	10
chemicalCompound:hbd	8
chemicalCompound:psa	245.1
chemicalCompound:rtb	36
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.361
chemicalCompound:acdLogP	8.94
chemicalCompound:acdLogD	7.363
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	998.088
chemicalCompound:acdMostBpk...	8.24
chemicalCompound:chemblId	CHEMBL1962946
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1384657
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No