203749

Source:http://linkedlifedata.com/resource/chembl/compound/203749

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/C32H37N6O12P/c1-32(16-19-5-9-21(10-6-19)29(42)43,30(44)36-24(27(35)40)15-26(34)39)38-28(41)25(14-18-7-11-23(12-8-18)50-51(46,47)48)37-31(45)49-17-20-3-2-4-22(33)13-20/h2-13,24-25H,14-17,33H2,1H3,(H2,34,39)(H2,35,40)(H,36,44)(H,37,45)(H,38,41)(H,42,43)(H2,46,47,48)
chemicalCompound:standardIn...	ZSFMNJDMACNKQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(Cc1ccc(cc1)C(=O)O)(NC(=O)C(Cc2ccc(OP(=O)(O)O)cc2)NC(=O)OCc3cccc(N)c3)C(=O)NC(CC(=O)N)C(=O)N
chemicalCompound:molecularF...	C32 H37 N6 O12 P
chemicalCompound:moleculeId	203749
chemicalCompound:mwFreebase	728.643
chemicalCompound:alogp	0.59
chemicalCompound:hba	13
chemicalCompound:hbd	9
chemicalCompound:psa	322.59
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.275
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-5.047
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	728.643
chemicalCompound:acdMostBpk...	4.114
chemicalCompound:chemblId	CHEMBL409262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303749
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:1110865, activity:1110866