675130

Source:http://linkedlifedata.com/resource/chembl/compound/675130

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:14805
chemicalCompound:synonym	synonym:675130_Lapatinib ditosylate monohydrate_OTHER
chemicalCompound:standardIn...	InChI=1S/C29H26ClFN4O4S.2C7H8O3S.H2O/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;21-6-2-4-7(5-3-6)11(8,9)10;/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);22-5H,1H3,(H,8,9,10);1H2
chemicalCompound:standardIn...	XNRVGTHNYCNCFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4
chemicalCompound:molecularF...	C43H44ClFN4O11S3
chemicalCompound:moleculeId	675130
chemicalCompound:mwFreebase	581.058
chemicalCompound:alogp	5.404
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	114.73
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.302
chemicalCompound:acdLogD	6.262
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	943.476
chemicalCompound:acdMostBpk...	6.341
chemicalCompound:chemblId	CHEMBL1201179
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775130
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LAPATINIB DITOSYLATE MONOHYDRATE