217971

Source:http://linkedlifedata.com/resource/chembl/compound/217971

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/C29H29Cl2N4O7P/c1-18(36)32-26(16-20-7-11-22(12-8-20)42-43(38,39)40)28(37)33-25(14-10-19-5-3-2-4-6-19)29-34-27(35-41-29)17-21-9-13-23(30)24(31)15-21/h2-9,11-13,15,25-26H,10,14,16-17H2,1H3,(H,32,36)(H,33,37)(H2,38,39,40)/t25-,26-/m0/s1
chemicalCompound:standardIn...	KFDCVBWXWCZIOI-UIOOFZCWSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCc2ccccc2)c3onc(Cc4ccc(Cl)c(Cl)c4)n3
chemicalCompound:molecularF...	C29 H29 Cl2 N4 O7 P
chemicalCompound:moleculeId	217971
chemicalCompound:mwFreebase	647.443
chemicalCompound:alogp	5.004
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	173.68
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.269
chemicalCompound:acdLogP	2.227
chemicalCompound:acdLogD	-1.667
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	647.443
chemicalCompound:chemblId	CHEMBL336949
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317971
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:986637, activity:986638, activity:986639, activity:986640