65276

Source:http://linkedlifedata.com/resource/chembl/compound/65276

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C29H27N5O5/c1-19-17-34(28(37)31-26(19)36)27-24(32-33-30)25(35)23(39-27)18-38-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,23-25,27,35H,18H2,1H3,(H,31,36,37)
chemicalCompound:standardIn...	UJSNBJFRRVDUSB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2OC(COC(c3ccccc3)(c4ccccc4)c5ccccc5)C(O)C2N=[N+]=[N-])C(=O)NC1=O
chemicalCompound:molecularF...	C29 H27 N5 O5
chemicalCompound:moleculeId	65276
chemicalCompound:mwFreebase	525.555
chemicalCompound:alogp	4.341
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	137.85
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	5.393
chemicalCompound:acdLogD	5.39
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.555
chemicalCompound:chemblId	CHEMBL297262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165276
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:217433, activity:217434, activity:217435