156773

Source:http://linkedlifedata.com/resource/chembl/compound/156773

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C37H57N5O7/c1-24(2)30(39-34(46)48-36(5,6)7)32(44)38-28(21-26-17-13-11-14-18-26)29(43)23-42(22-27-19-15-12-16-20-27)41-33(45)31(25(3)4)40-35(47)49-37(8,9)10/h11-20,24-25,28-31,43H,21-23H2,1-10H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t28-,29-,30-,31+/m0/s1
chemicalCompound:standardIn...	WZJDOUFPGNGAOH-XHPANXIASA-N
chemicalCompound:canonicalS...	CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)Cc2ccccc2
chemicalCompound:molecularF...	C37 H57 N5 O7
chemicalCompound:moleculeId	156773
chemicalCompound:mwFreebase	683.878
chemicalCompound:alogp	5.209
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	158.32
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.292
chemicalCompound:acdLogP	4.904
chemicalCompound:acdLogD	4.903
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	683.878
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL415698
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256773
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:630398