370693

Source:http://linkedlifedata.com/resource/chembl/compound/370693

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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/C45H63N11O12/c1-25(2)36(52-41(64)32(22-35(59)60)51-44(67)37(27(4)57)53-40(63)30-17-11-19-47-30)43(66)48-23-34(58)55-20-12-18-33(55)42(65)54-56(24-29-15-9-6-10-16-29)45(68)49-26(3)39(62)50-31(38(46)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-33,36-37,47,57H,11-12,17-24H2,1-4H3,(H2,46,61)(H,48,66)(H,49,68)(H,50,62)(H,51,67)(H,52,64)(H,53,63)(H,54,65)(H,59,60)/t26-,27+,30-,31-,32-,33-,36-,37-/m0/s1
chemicalCompound:standardIn...	XVVQTUCMJMYCNA-UEBUATRSSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
chemicalCompound:molecularF...	C45 H63 N11 O12
chemicalCompound:moleculeId	370693
chemicalCompound:mwFreebase	950.048
chemicalCompound:alogp	-4.605
chemicalCompound:hba	13
chemicalCompound:hbd	11
chemicalCompound:psa	339.9
chemicalCompound:rtb	23
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.184
chemicalCompound:acdLogP	1.31
chemicalCompound:acdLogD	-1.213
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	950.048
chemicalCompound:acdMostBpk...	8.624
chemicalCompound:chemblId	CHEMBL439695
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:470693
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:1823621