33574

Source:http://linkedlifedata.com/resource/chembl/compound/33574

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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/C26H34N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(29)27-22)19(25)10-11-21(25)24(30)28(3)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,27,29)/t18?,19?,20?,21-,22?,25+,26-/m1/s1
chemicalCompound:standardIn...	OKVPDEXTEJGPIM-FNMUVGKUSA-N
chemicalCompound:canonicalS...	CN(C(=O)[C@H]1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C)c5ccccc5
chemicalCompound:molecularF...	C26 H34 N2 O2
chemicalCompound:moleculeId	33574
chemicalCompound:mwFreebase	406.56
chemicalCompound:alogp	4.025
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	49.41
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.227
chemicalCompound:acdLogD	4.227
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.56
chemicalCompound:acdMostBpk...	0.509
chemicalCompound:chemblId	CHEMBL25072
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133574
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:283294, activity:283295