290296

Source:http://linkedlifedata.com/resource/chembl/compound/290296

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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/C27H25N3O4/c1-16(31)24-22-14-21(25(27(33)34)30(22)26(24)32)20-6-4-5-19(13-20)18-10-8-17(9-11-18)15-29-12-3-2-7-23(29)28/h2-13,16,22,24,28,31H,14-15H2,1H3,(H,33,34)/t16-,22-,24-/m1/s1
chemicalCompound:standardIn...	SCIANMCSTIYAJX-OHOZJJFFSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])c3cccc(c3)c4ccc(C[n+]5ccccc5N)cc4
chemicalCompound:molecularF...	C27 H25 N3 O4
chemicalCompound:moleculeId	290296
chemicalCompound:mwFreebase	455.505
chemicalCompound:alogp	1.315
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	110.57
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.34
chemicalCompound:acdLogP	-5.52
chemicalCompound:acdLogD	-4.92
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	455.505
chemicalCompound:chemblId	CHEMBL174264
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:390296
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:964952, activity:964953, activity:964954, activity:964955, activity:964956, activity:964957, activity:964958, activity:964959, activity:964960, activity:964961, activity:964962, activity:964963, activity:964964, activity:964965, activity:964966, activity:964967, activity:964968, activity:964969, activity:964970, activity:964971, activity:964972, activity:964973, activity:964974, activity:964975, activity:964976, activity:964977, activity:964978, activity:964979, activity:964980, activity:964981