300633

Source:http://linkedlifedata.com/resource/chembl/compound/300633

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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/C24H28N6O6S/c1-3-19(30-10-9-25-22(24(30)35)26-12-18-15(2)28-36-29-18)23(34)27-17(11-21(32)33)20(31)14-37-13-16-7-5-4-6-8-16/h4-10,17,19H,3,11-14H2,1-2H3,(H,25,26)(H,27,34)(H,32,33)/t17-,19?/m0/s1
chemicalCompound:standardIn...	ULELQXPHOSNTHT-KKFHFHRHSA-N
chemicalCompound:canonicalS...	CCC(N1C=CN=C(NCc2nonc2C)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc3ccccc3
chemicalCompound:molecularF...	C24 H28 N6 O6 S
chemicalCompound:moleculeId	300633
chemicalCompound:mwFreebase	528.581
chemicalCompound:alogp	-0.12
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	192.39
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.064
chemicalCompound:acdLogP	1.698
chemicalCompound:acdLogD	-1.497
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	528.581
chemicalCompound:acdMostBpk...	1.344
chemicalCompound:chemblId	CHEMBL433771
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:400633
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:1422473, activity:1422474, activity:1422475, activity:1422476, activity:1422477