1154626

Source:http://linkedlifedata.com/resource/chembl/compound/1154626

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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/C25H30N4O2S/c1-3-17(2)23(29-25(32)27-14-18-9-5-4-6-10-18)24(31)28-20(16-30)13-19-15-26-22-12-8-7-11-21(19)22/h4-12,15-17,20,23,26H,3,13-14H2,1-2H3,(H,28,31)(H2,27,29,32)/t17-,20-,23+/m1/s1
chemicalCompound:standardIn...	GJLXFFKSGIYTBC-LLBVYWAGSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)[C@H](\N=C(/S)\NCc1ccccc1)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C=O
chemicalCompound:molecularF...	C25H30N4O2S
chemicalCompound:moleculeId	1154626
chemicalCompound:mwFreebase	450.596
chemicalCompound:alogp	4.917
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	125.15
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.277
chemicalCompound:acdLogP	4.658
chemicalCompound:acdLogD	2.158
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	450.596
chemicalCompound:acdMostBpk...	14.705
chemicalCompound:chemblId	CHEMBL1790995
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1254626
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:318482, activity:318483, activity:318484