606998

Source:http://linkedlifedata.com/resource/chembl/compound/606998

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/C11H15N2O10P/c14-6-1-2-13(11(19)12-6)10-9(18)8(17)5(23-10)3-22-24(20,21)4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H,12,14,19)/t5-,8-,9-,10?/m1/s1
chemicalCompound:standardIn...	NOVAIUBPAONQMW-LIHGLPLCSA-N
chemicalCompound:canonicalS...	O[C@H]1[C@@H](O)C(O[C@@H]1COP(=O)(O)CC(=O)O)N2C=CC(=O)NC2=O
chemicalCompound:molecularF...	C11H15N2O10P
chemicalCompound:moleculeId	606998
chemicalCompound:mwFreebase	366.218
chemicalCompound:alogp	-3.155
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	192.73
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.754
chemicalCompound:acdLogP	-2.347
chemicalCompound:acdLogD	-7.085
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	366.218
chemicalCompound:chemblId	CHEMBL610130
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706998
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:599705, activity:599706