1090285

Source:http://linkedlifedata.com/resource/chembl/compound/1090285

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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/C44H75N19O6/c1-4-23-67-25-27-69-28-26-68-24-14-50-42-51-43(60-19-15-58(16-20-60)40(65)36(10-6-8-12-45)62-30-34(54-56-62)33(47)29-38(48)64)53-44(52-42)61-21-17-59(18-22-61)41(66)37(11-7-9-13-46)63-31-35(55-57-63)39(49)32(3)5-2/h1,30-33,36-37,39H,5-29,45-47,49H2,2-3H3,(H2,48,64)(H,50,51,52,53)/t32-,33+,36+,37+,39+/m1/s1
chemicalCompound:standardIn...	AQZBMQOHLMDUBR-FRVJPPRMSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(=O)N
chemicalCompound:molecularF...	C44H75N19O6
chemicalCompound:moleculeId	1090285
chemicalCompound:mwFreebase	966.19
chemicalCompound:alogp	-0.968
chemicalCompound:hba	20
chemicalCompound:hbd	6
chemicalCompound:psa	334.07
chemicalCompound:rtb	31
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.776
chemicalCompound:acdLogD	-5.433
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	966.19
chemicalCompound:acdMostBpk...	10.442
chemicalCompound:chemblId	CHEMBL1709554
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1190285
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:5412990, activity:5498335, activity:5865157, activity:6458640, activity:6629841, activity:6787081