391965

Source:http://linkedlifedata.com/resource/chembl/compound/391965

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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/C21H21Cl2FN6O5/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m1/s1
chemicalCompound:standardIn...	WNZTYSHUDOLBNT-MRXNPFEDSA-N
chemicalCompound:canonicalS...	OC(=O)C[C@@H](NC(=O)CNC(=O)c1cncc(NC2=NCC(F)CN2)c1)c3cc(Cl)cc(Cl)c3O
chemicalCompound:molecularF...	C21 H21 Cl2 F N6 O5
chemicalCompound:moleculeId	391965
chemicalCompound:mwFreebase	527.333
chemicalCompound:alogp	1
chemicalCompound:hba	9
chemicalCompound:hbd	6
chemicalCompound:psa	165.04
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.078
chemicalCompound:acdLogP	0.001
chemicalCompound:acdLogD	-2.927
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	527.333
chemicalCompound:acdMostBpk...	7.242
chemicalCompound:chemblId	CHEMBL388662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491965
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:1944812, activity:1944859