177846

Source:http://linkedlifedata.com/resource/chembl/compound/177846

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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/C27H35N3O4/c1-2-34-23-15-8-19(9-16-23)10-17-25(31)29-21-11-13-22(14-12-21)30-27(33)26(32)24(28)18-20-6-4-3-5-7-20/h8-17,20,24,26,32H,2-7,18,28H2,1H3,(H,29,31)(H,30,33)/b17-10+/t24-,26+/m1/s1
chemicalCompound:standardIn...	BPAYNJQOTISAGH-VOGWLNIHSA-N
chemicalCompound:canonicalS...	CCOc1ccc(\C=C\C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CC3CCCCC3)cc2)cc1
chemicalCompound:molecularF...	C27 H35 N3 O4
chemicalCompound:moleculeId	177846
chemicalCompound:mwFreebase	465.585
chemicalCompound:alogp	3.775
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	113.68
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.888
chemicalCompound:acdLogP	4.456
chemicalCompound:acdLogD	3.608
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	465.585
chemicalCompound:acdMostBpk...	7.423
chemicalCompound:chemblId	CHEMBL420111
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:277846
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:792507, activity:792508, activity:792509