182673

Source:http://linkedlifedata.com/resource/chembl/compound/182673

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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/C21H23FN8O5/c1-2-9-5-10(18(31)28-14(20(34)35)6-12(22)19(32)33)3-4-13(9)25-7-11-8-26-17-15(27-11)16(23)29-21(24)30-17/h3-5,8,12,14,25H,2,6-7H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H4,23,24,26,29,30)/t12?,14-/m0/s1
chemicalCompound:standardIn...	XBMOUZNETTVYDU-PYMCNQPYSA-N
chemicalCompound:canonicalS...	CCc1cc(ccc1NCc2cnc3nc(N)nc(N)c3n2)C(=O)N[C@@H](CC(F)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C21 H23 F N8 O5
chemicalCompound:moleculeId	182673
chemicalCompound:mwFreebase	486.456
chemicalCompound:alogp	0.732
chemicalCompound:hba	12
chemicalCompound:hbd	6
chemicalCompound:psa	219.33
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.326
chemicalCompound:acdLogP	0.042
chemicalCompound:acdLogD	-4.629
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	486.456
chemicalCompound:acdMostBpk...	5.476
chemicalCompound:chemblId	CHEMBL110209
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282673
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:52705, activity:52706, activity:52707, activity:52708, activity:52709, activity:52710, activity:52711, activity:52712, activity:52713, activity:52714, activity:52715, activity:52716, activity:66817, activity:66818, activity:66819, activity:66820, activity:66821, activity:66822, activity:66823, activity:66824, activity:66825, activity:66826, activity:66827, activity:66828