148274

Source:http://linkedlifedata.com/resource/chembl/compound/148274

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:23137
chemicalCompound:standardIn...	InChI=1S/C26H28N4O3.2ClH/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);2*1H/t23-,24?;;/m0../s1
chemicalCompound:standardIn...	MVNXETBTTGVOLO-VZBZPWRVSA-N
chemicalCompound:canonicalS...	Cl.Cl.CC(=N)N1CC[C@@H](C1)Oc2ccc(cc2)C(Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O
chemicalCompound:molecularF...	C26H30Cl2N4O3
chemicalCompound:moleculeId	148274
chemicalCompound:mwFreebase	444.526
chemicalCompound:alogp	2.756
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	123.49
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.362
chemicalCompound:acdLogP	1.85
chemicalCompound:acdLogD	-1.649
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	517.447
chemicalCompound:acdMostBpk...	12.576
chemicalCompound:chemblId	CHEMBL314535
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:248274
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:546417, activity:546418, activity:546419