1066403

Source:http://linkedlifedata.com/resource/chembl/compound/1066403

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1118549
chemicalCompound:standardIn...	InChI=1S/C34H54N8O2.ClH/c1-26(2)31-17-16-27(3)23-32(31)44-34(43)41(22-18-28-13-9-10-19-36-28)20-11-5-4-7-15-30-25-42(40-39-30)21-12-6-8-14-29-24-37-33(35)38-29;/h9-10,13,19,24-27,31-32H,4-8,11-12,14-18,20-23H2,1-3H3,(H3,35,37,38);1H/t27-,31+,32-;/m1./s1
chemicalCompound:standardIn...	MCAPUDZAASUBBW-NEAAHOCMSA-N
chemicalCompound:canonicalS...	Cl.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc2cn(CCCCCc3c[nH]c(N)n3)nn2)CCc4ccccn4
chemicalCompound:molecularF...	C34H55ClN8O2
chemicalCompound:moleculeId	1066403
chemicalCompound:mwFreebase	606.845
chemicalCompound:alogp	7.138
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	127.84
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.563
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	643.306
chemicalCompound:acdMostBpk...	8.981
chemicalCompound:chemblId	CHEMBL1667926
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1166403
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:5196932, activity:5196940, activity:5196947, activity:5196956, activity:5196965, activity:5196974, activity:5196983, activity:5196992, activity:5196995, activity:5196998, activity:5197001