101029

Source:http://linkedlifedata.com/resource/chembl/compound/101029

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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/C25H27N7O7S2/c1-13(33)31(38)8-9-39-29-18(16-12-41-25(26)27-16)21(34)28-19-22(35)32-20(24(36)37)15(11-40-23(19)32)10-30-7-3-5-14-4-2-6-17(14)30/h3,5,7,12,19,23,38H,2,4,6,8-11H2,1H3,(H3-,26,27,28,34,36,37)/p+1/b29-18-/t19-,23-/m1/s1
chemicalCompound:standardIn...	ODRAGBBBEKCGIS-KUINTPDISA-O
chemicalCompound:canonicalS...	CC(=O)N(O)CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[n+]3cccc4CCCc34)\c5csc(N)n5
chemicalCompound:molecularF...	C25 H28 N7 O7 S2
chemicalCompound:moleculeId	101029
chemicalCompound:mwFreebase	602.663
chemicalCompound:alogp	0.636
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	245.16
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.431
chemicalCompound:acdLogP	-2.526
chemicalCompound:acdLogD	-1.991
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	602.663
chemicalCompound:acdMostBpk...	1.619
chemicalCompound:chemblId	CHEMBL65389
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201029
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:1303366, activity:1303367, activity:1303368, activity:1303369, activity:1303370, activity:1303371, activity:1303372, activity:1303373, activity:1303374, activity:1303375, activity:1303376, activity:1303377, activity:1303378, activity:1303379