235542

Source:http://linkedlifedata.com/resource/chembl/compound/235542

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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/C27H31N5O7/c1-5-8-22(32-12-7-9-20(26(32)36)30-24(34)21-14-17(4)39-31-21)25(35)29-19(13-16(3)27(37)38-6-2)15-18-10-11-28-23(18)33/h1,7,9,12-14,18-19,22H,6,8,10-11,15H2,2-4H3,(H,28,33)(H,29,35)(H,30,34)/b16-13+/t18-,19+,22-/m0/s1
chemicalCompound:standardIn...	GIHOQEOWBNLQKL-JDONLOHQSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C(=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(NC(=O)c3cc(C)on3)C2=O)\C
chemicalCompound:molecularF...	C27 H31 N5 O7
chemicalCompound:moleculeId	235542
chemicalCompound:mwFreebase	537.564
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	159.93
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.641
chemicalCompound:acdLogP	1.076
chemicalCompound:acdLogD	1.074
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	537.564
chemicalCompound:chemblId	CHEMBL141136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:335542
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:1181863, activity:1181864