222924

Source:http://linkedlifedata.com/resource/chembl/compound/222924

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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/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)6(2-8)4-12/h3,6,12H,2,4H2,1H3
chemicalCompound:standardIn...	QVQPRDWUIKKAPU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ncc([N+](=O)[O-])n1C(CO)CCl
chemicalCompound:molecularF...	C7 H10 Cl N3 O3
chemicalCompound:moleculeId	222924
chemicalCompound:mwFreebase	219.626
chemicalCompound:alogp	0.357
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	83.87
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.678
chemicalCompound:acdLogD	0.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	219.626
chemicalCompound:acdMostBpk...	2.217
chemicalCompound:chemblId	CHEMBL334654
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:322924
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:141405, activity:141406, activity:141407, activity:141408, activity:141409, activity:141410, activity:141411, activity:904513, activity:904514, activity:904515, activity:904516, activity:904517, activity:904518, activity:904519, activity:904520, activity:904521, activity:904522, activity:904523, activity:904524