112907

Source:http://linkedlifedata.com/resource/chembl/compound/112907

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:112907_BMS-363130_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22+,24-/m0/s1
chemicalCompound:standardIn...	FHCQLMSOTXBNCN-ZDXQCDESSA-N
chemicalCompound:canonicalS...	NC(=N)N1CCC[C@@H](C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc4ccccc4)C2=O)C(=O)O)C1
chemicalCompound:molecularF...	C28 H40 N6 O5
chemicalCompound:moleculeId	112907
chemicalCompound:mwFreebase	540.654
chemicalCompound:alogp	2.153
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	151.34
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.967
chemicalCompound:acdLogP	1.026
chemicalCompound:acdLogD	-1.474
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	540.654
chemicalCompound:acdMostBpk...	14.203
chemicalCompound:chemblId	CHEMBL70738
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212907
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:287281, activity:287282, activity:287283, activity:287284, activity:287285, activity:287286, activity:287287, activity:287288, activity:1024514, activity:5111716