207477

Source:http://linkedlifedata.com/resource/chembl/compound/207477

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/C29H31N9O7S3/c1-12-5-6-15(13(2)7-12)37-18(31)8-17(30)34-28(37)47-11-14-10-46-24-20(23(40)38(24)21(14)25(41)42)35-22(39)19(16-9-33-27(32)48-16)36-45-29(3,4)26(43)44/h5-9,20,24H,10-11H2,1-4H3,(H8,30,31,32,33,35,36,39,41,42,43,44)/p+1
chemicalCompound:standardIn...	OKYPYMBPRJRNTQ-UHFFFAOYSA-O
chemicalCompound:canonicalS...	Cc1ccc(c(C)c1)[n+]2c(N)cc(N)nc2SCC3=C(N4C(SC3)C(NC(=O)\C(=N/OC(C)(C)C(=O)O)\c5cnc(N)s5)C4=O)C(=O)O
chemicalCompound:molecularF...	C29 H32 N9 O7 S3
chemicalCompound:moleculeId	207477
chemicalCompound:mwFreebase	714.815
chemicalCompound:alogp	2.241
chemicalCompound:hba	15
chemicalCompound:hbd	6
chemicalCompound:psa	332.16
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.365
chemicalCompound:acdLogP	-1.582
chemicalCompound:acdLogD	-2.007
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	714.815
chemicalCompound:acdMostBpk...	2.337
chemicalCompound:chemblId	CHEMBL124857
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307477
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:1146344, activity:1146345, activity:1146346, activity:1146347, activity:1146348, activity:1146349, activity:1146350, activity:1146351, activity:1146352, activity:1146353, activity:1146354, activity:1146355