294668

Source:http://linkedlifedata.com/resource/chembl/compound/294668

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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/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
chemicalCompound:standardIn...	GBOCTZMLOKKIHJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CCCOc1cc(ccc1NC(=O)c2ccccc2c3ccccc3)C(=O)N4CCCCc5sccc45)N6CCC(CC6)N7CCCCC7
chemicalCompound:molecularF...	C42 H48 N4 O4 S
chemicalCompound:moleculeId	294668
chemicalCompound:mwFreebase	704.92
chemicalCompound:alogp	6.489
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	110.43
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.244
chemicalCompound:acdLogP	7.845
chemicalCompound:acdLogD	6.273
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	704.92
chemicalCompound:acdMostBpk...	9.307
chemicalCompound:chemblId	CHEMBL368353
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394668
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:846419, activity:846420, activity:846421, activity:846422, activity:846423, activity:846424