195571

Source:http://linkedlifedata.com/resource/chembl/compound/195571

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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/C32H43N5O7/c1-19(2)27(37-32(43)44-20(3)4)30(41)36-25(18-22-12-8-6-9-13-22)29(40)35-24(16-17-26(33)38)28(39)31(42)34-21(5)23-14-10-7-11-15-23/h6-15,19-21,24-25,27H,16-18H2,1-5H3,(H2,33,38)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t21-,24-,25-,27-/m0/s1
chemicalCompound:standardIn...	MCHBOLNFGIUCQW-DJESZUOASA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N)C(=O)C(=O)N[C@@H](C)c2ccccc2
chemicalCompound:molecularF...	C32 H43 N5 O7
chemicalCompound:moleculeId	195571
chemicalCompound:mwFreebase	609.713
chemicalCompound:alogp	2.685
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	185.79
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.123
chemicalCompound:acdLogP	3.865
chemicalCompound:acdLogD	3.864
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	609.713
chemicalCompound:chemblId	CHEMBL118874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:295571
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:944456, activity:944457, activity:944458, activity:944459