293989

Source:http://linkedlifedata.com/resource/chembl/compound/293989

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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/C39H52N4O7/c1-27(2)22-32(35(45)40-33(36(46)49-6)24-29-18-12-8-13-19-29)41-37(47)43(25-30-20-14-9-15-21-30)26-34(44)31(23-28-16-10-7-11-17-28)42-38(48)50-39(3,4)5/h7-21,27,31-34,44H,22-26H2,1-6H3,(H,40,45)(H,41,47)(H,42,48)/t31-,32-,33-,34+/m0/s1
chemicalCompound:standardIn...	JSRKDJOWXFCPQS-GZXHTMMISA-N
chemicalCompound:canonicalS...	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc3ccccc3
chemicalCompound:molecularF...	C39 H52 N4 O7
chemicalCompound:moleculeId	293989
chemicalCompound:mwFreebase	688.853
chemicalCompound:alogp	5.871
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	146.29
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.036
chemicalCompound:acdLogP	4.136
chemicalCompound:acdLogD	4.135
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	688.853
chemicalCompound:chemblId	CHEMBL175323
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:393989
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:865121, activity:878779, activity:898083