152673

Source:http://linkedlifedata.com/resource/chembl/compound/152673

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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:152673_CP-69799_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C49H73N9O9/c1-32(2)58(47(65)56-37(23-15-16-24-50)43(60)55-41(46(63)64)27-35-21-13-8-14-22-35)30-42(59)38(25-33-17-9-6-10-18-33)53-45(62)40(28-36-29-51-31-52-36)54-44(61)39(26-34-19-11-7-12-20-34)57-48(66)67-49(3,4)5/h7-8,11-14,19-22,29,31-33,36-42,59H,6,9-10,15-18,23-28,30,50H2,1-5H3,(H,53,62)(H,54,61)(H,55,60)(H,56,65)(H,57,66)(H,63,64)
chemicalCompound:standardIn...	YPJDTZUOYZAGID-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)N(CC(O)C(CC1CCCCC1)NC(=O)C(CC2C=NC=N2)NC(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(Cc4ccccc4)C(=O)O
chemicalCompound:molecularF...	C49 H73 N9 O9
chemicalCompound:moleculeId	152673
chemicalCompound:mwFreebase	932.159
chemicalCompound:alogp	1.713
chemicalCompound:hba	12
chemicalCompound:hbd	8
chemicalCompound:psa	266.23
chemicalCompound:rtb	27
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.566
chemicalCompound:acdLogP	3.421
chemicalCompound:acdLogD	0.854
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	932.159
chemicalCompound:acdMostBpk...	10.516
chemicalCompound:chemblId	CHEMBL328877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:252673
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:1192628