327518

Source:http://linkedlifedata.com/resource/chembl/compound/327518

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/C23H26FN5O6/c1-13(30)25-8-15-9-28(23(31)34-15)14-3-4-20(19(24)7-14)27-11-17-16(18(17)12-27)10-26(2)21-5-6-22(35-21)29(32)33/h3-7,15-18H,8-12H2,1-2H3,(H,25,30)/t15-,16-,17-,18+/m0/s1
chemicalCompound:standardIn...	VVRDZAPRSNTTJE-XLAORIBOSA-N
chemicalCompound:canonicalS...	CN(C[C@@H]1[C@H]2CN(C[C@@H]12)c3ccc(cc3F)N4C[C@H](CNC(=O)C)OC4=O)c5oc(cc5)[N+](=O)[O-]
chemicalCompound:molecularF...	C23 H26 F N5 O6
chemicalCompound:moleculeId	327518
chemicalCompound:mwFreebase	487.481
chemicalCompound:alogp	2.169
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	124.07
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.456
chemicalCompound:acdLogD	2.419
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	487.481
chemicalCompound:acdMostBpk...	6.247
chemicalCompound:chemblId	CHEMBL370932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:427518
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:1603960, activity:1603961, activity:1603962, activity:1603963, activity:1603964, activity:1603965