1084600

Source:http://linkedlifedata.com/resource/chembl/compound/1084600

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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/C34H57N7/c1-25(2)31-21-37-33(35)40(31)22-29-17-11-18-38(29)24-32(26(3)4)41-23-30(20-28-14-6-5-7-15-28)39(34(41)36)19-10-16-27-12-8-9-13-27/h5-7,14-15,25-27,29-32,36H,8-13,16-24H2,1-4H3,(H2,35,37)/t29-,30+,31-,32-/m0/s1
chemicalCompound:standardIn...	FUXHIPGFKSLPTJ-RACKDBBVSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](CN1CCC[C@H]1CN2[C@@H](CN=C2N)C(C)C)N3C[C@@H](Cc4ccccc4)N(CCCC5CCCC5)C3=N
chemicalCompound:molecularF...	C34H57N7
chemicalCompound:moleculeId	1084600
chemicalCompound:mwFreebase	563.863
chemicalCompound:alogp	6.502
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	75.19
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.112
chemicalCompound:acdLogD	2.499
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	563.863
chemicalCompound:acdMostBpk...	13.717
chemicalCompound:chemblId	CHEMBL1703869
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1184600
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:5500420, activity:5936436, activity:8995634, activity:9693754