302892

Source:http://linkedlifedata.com/resource/chembl/compound/302892

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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:302892_(-)-SNAP-5399_RESEARCH_CODE, synonym:302892_SNAP-5399_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33,42H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)/t33-/m0/s1
chemicalCompound:standardIn...	FLMJQBHJNDEDJH-XIFFEERXSA-N
chemicalCompound:canonicalS...	CCC1=C([C@@H](C(=C(COCCN)N1)C(=O)NCCCN2CCC(CC2)(c3ccccc3)c4ccccc4)c5ccc(cc5)[N+](=O)[O-])C(=O)N
chemicalCompound:molecularF...	C38 H46 N6 O5
chemicalCompound:moleculeId	302892
chemicalCompound:mwFreebase	666.809
chemicalCompound:alogp	3.121
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	168.53
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.585
chemicalCompound:acdLogD	1.74
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	666.809
chemicalCompound:acdMostBpk...	8.972
chemicalCompound:chemblId	CHEMBL180932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:402892
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:266196, activity:266197, activity:266198, activity:1430470, activity:1481731, activity:1481732, activity:1481733