218509

Source:http://linkedlifedata.com/resource/chembl/compound/218509

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/C29H26F5N4O7P/c1-16(28-37-25(38-44-28)14-18-2-7-20(8-3-18)29(32,33)34)35-27(40)24(13-17-4-9-21(10-5-17)45-46(41,42)43)36-26(39)15-19-6-11-22(30)23(31)12-19/h2-12,16,24H,13-15H2,1H3,(H,35,40)(H,36,39)(H2,41,42,43)/t16-,24-/m0/s1
chemicalCompound:standardIn...	PVIWMUBSVVGDRQ-FYSMJZIKSA-N
chemicalCompound:canonicalS...	C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc2ccc(F)c(F)c2)c3onc(Cc4ccc(cc4)C(F)(F)F)n3
chemicalCompound:molecularF...	C29 H26 F5 N4 O7 P
chemicalCompound:moleculeId	218509
chemicalCompound:mwFreebase	668.505
chemicalCompound:alogp	4.715
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	173.68
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.268
chemicalCompound:acdLogP	2.756
chemicalCompound:acdLogD	-1.138
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	668.505
chemicalCompound:chemblId	CHEMBL134004
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318509
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:959039, activity:959040, activity:959041