607136

Source:http://linkedlifedata.com/resource/chembl/compound/607136

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C14H22Cl3N4O7P/c1-2-4-19-29(25,27-7-14(15,16)17)26-6-8-10(22)11(23)12(28-8)21-5-3-9(18)20-13(21)24/h3,5,8,10-12,22-23H,2,4,6-7H2,1H3,(H,19,25)(H2,18,20,24)/t8-,10-,11+,12?,29?/m1/s1
chemicalCompound:standardIn...	AOOSOLZBMYRBNU-KSKKJMRGSA-N
chemicalCompound:canonicalS...	CCCNP(=O)(OC[C@H]1OC([C@@H](O)[C@@H]1O)N2C=CC(=NC2=O)N)OCC(Cl)(Cl)Cl
chemicalCompound:molecularF...	C14H22Cl3N4O7P
chemicalCompound:moleculeId	607136
chemicalCompound:mwFreebase	495.68
chemicalCompound:alogp	-0.38
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	165.75
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.326
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	495.68
chemicalCompound:acdMostBpk...	4.263
chemicalCompound:chemblId	CHEMBL610139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707136
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:447648