41265

Source:http://linkedlifedata.com/resource/chembl/compound/41265

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:41265_RWJ-54428_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H20ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)/b27-12-/t13-,18-/m1/s1
chemicalCompound:standardIn...	LTUWUNMGTLOPNC-RLQAYIIJSA-N
chemicalCompound:canonicalS...	NCCSCc1cnccc1SC2=C(N3[C@H](SC2)[C@H](NC(=O)\C(=N/O)\c4nc(N)sc4Cl)C3=O)C(=O)O
chemicalCompound:molecularF...	C20H20ClN7O5S4
chemicalCompound:moleculeId	41265
chemicalCompound:mwFreebase	602.13
chemicalCompound:alogp	-2.311
chemicalCompound:hba	13
chemicalCompound:hbd	5
chemicalCompound:psa	301.25
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.899
chemicalCompound:acdLogP	-1.514
chemicalCompound:acdLogD	-4.372
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	602.13
chemicalCompound:acdMostBpk...	8.835
chemicalCompound:chemblId	CHEMBL285117
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141265
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:141674, activity:141675, activity:141676, activity:2929255, activity:2929286