164386

Source:http://linkedlifedata.com/resource/chembl/compound/164386

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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/C23H23F2N3O3/c1-12-6-15(24)4-5-19(12)28-11-17(23(30)31)22(29)16-7-18(25)21(8-20(16)28)27-9-13(2)26-14(3)10-27/h4-8,11,13-14,26H,9-10H2,1-3H3,(H,30,31)
chemicalCompound:standardIn...	YXOXXCCLXWLWBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CN(CC(C)N1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4C
chemicalCompound:molecularF...	C23 H23 F2 N3 O3
chemicalCompound:moleculeId	164386
chemicalCompound:mwFreebase	427.444
chemicalCompound:alogp	1.281
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.174
chemicalCompound:acdLogP	1.956
chemicalCompound:acdLogD	-0.155
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	427.444
chemicalCompound:acdMostBpk...	8.803
chemicalCompound:chemblId	CHEMBL101990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:264386
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:1144964, activity:1144965, activity:1144966, activity:1144967, activity:1144968, activity:1144969, activity:1144970, activity:1144971, activity:1144972, activity:1144973