98134

Source:http://linkedlifedata.com/resource/chembl/compound/98134

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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/C26H23BrClN7O4/c1-2-3-8-19-30-24(28)22(26(38)29-12-20(36)37)35(19)13-14-9-10-18-17(11-14)21(27)23(39-18)15-6-4-5-7-16(15)25-31-33-34-32-25/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,29,38)(H,36,37)(H,31,32,33,34)
chemicalCompound:standardIn...	IRHJZJFJLQEGAZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(C(=O)NCC(=O)O)n1Cc2ccc3oc(c(Br)c3c2)c4ccccc4c5nn[nH]n5
chemicalCompound:molecularF...	C26 H23 Br Cl N7 O4
chemicalCompound:moleculeId	98134
chemicalCompound:mwFreebase	612.862
chemicalCompound:alogp	5.532
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	151.82
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.368
chemicalCompound:acdLogP	5.726
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	612.862
chemicalCompound:acdMostBpk...	1.952
chemicalCompound:chemblId	CHEMBL292955
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:198134
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:265131, activity:265132