304095

Source:http://linkedlifedata.com/resource/chembl/compound/304095

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/C26H32N2O6S/c1-17(2)23(28-25(33)26(3,34)19-12-8-5-9-13-19)24(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23,34H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,26?/m0/s1
chemicalCompound:standardIn...	QCUIUJLDIUKBOL-YHBFXGCJSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccccc2
chemicalCompound:molecularF...	C26 H32 N2 O6 S
chemicalCompound:moleculeId	304095
chemicalCompound:mwFreebase	500.607
chemicalCompound:alogp	2.631
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	158.1
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.071
chemicalCompound:acdLogP	4.264
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	500.607
chemicalCompound:chemblId	CHEMBL183564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:404095
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:1435125, activity:1435126, activity:1435127, activity:1435128