605775

Source:http://linkedlifedata.com/resource/chembl/compound/605775

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/C19H24FN7O13P2S/c20-9-11(28)7(39-19(9)27-5-25-10-15(21)23-4-24-17(10)27)1-36-41(32,33)40-42(34,35)37-2-8-12(29)13(30)14(38-8)18-26-6(3-43-18)16(22)31/h3-5,7-9,11-14,19,28-30H,1-2H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t7-,8+,9-,11-,12+,13+,14?,19?/m0/s1
chemicalCompound:standardIn...	YQKAZGQCCWSIOX-NVYULXEGSA-N
chemicalCompound:canonicalS...	NC(=O)c1csc(n1)C2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3OC([C@@H](F)[C@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
chemicalCompound:molecularF...	C19H24FN7O13P2S
chemicalCompound:moleculeId	605775
chemicalCompound:mwFreebase	671.444
chemicalCompound:alogp	-2.767
chemicalCompound:hba	18
chemicalCompound:hbd	7
chemicalCompound:psa	354.9
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.133
chemicalCompound:acdLogP	-0.575
chemicalCompound:acdLogD	-5.073
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	671.444
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL605390
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:705775
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:914305, activity:914306, activity:918045, activity:918046, activity:1235579, activity:1235580, activity:1235581, activity:1235582, activity:1235583