156

Source:http://linkedlifedata.com/resource/chembl/compound/156

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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/C37H60N8O8/c1-6-23(5)30(45-33(48)27(19-22(3)4)43-34(49)29-21-39-17-18-40-29)35(50)44-28(20-24-13-9-8-10-14-24)32(47)41-25(7-2)31(46)36(51)42-26(37(52)53)15-11-12-16-38/h17-18,21-28,30H,6-16,19-20,38H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t23-,25-,26-,27-,28-,30-/m0/s1
chemicalCompound:standardIn...	PFHINVNYVSTJQP-VAZFOVGVSA-N
chemicalCompound:canonicalS...	CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](CCCCN)C(=O)O
chemicalCompound:molecularF...	C37 H60 N8 O8
chemicalCompound:moleculeId	156
chemicalCompound:mwFreebase	744.921
chemicalCompound:alogp	-0.092
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	251.66
chemicalCompound:rtb	23
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.103
chemicalCompound:acdLogP	4.477
chemicalCompound:acdLogD	1.976
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	744.921
chemicalCompound:acdMostBpk...	10.557
chemicalCompound:chemblId	CHEMBL266222
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100156
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:59301