1049553

Source:http://linkedlifedata.com/resource/chembl/compound/1049553

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C32H41N4O6S/c1-4-9-35-11-14-36(15-12-35,16-13-35)10-8-22-17-23-6-5-7-25-28(23)26(18-22)43(41,42)33(25)19-24-20(2)29-27(21(3)37)31(38)34(29)30(24)32(39)40/h5-7,17-18,20-21,27,29,37H,4,8-16,19H2,1-3H3/q+1/p+1/t20-,21+,27+,29+,35?,36?/m0/s1
chemicalCompound:standardIn...	UWPCZSSBDASOTK-FJRKQDPPSA-O
chemicalCompound:canonicalS...	CCC[N+]12CC[N+](CCc3cc4c5c(cccc5c3)N(CC6=C(N7[C@H]([C@H]6C)[C@@H]([C@@H](C)O)C7=O)C(=O)O)S4(=O)=O)(CC1)CC2
chemicalCompound:molecularF...	C32H42N4O6S
chemicalCompound:moleculeId	1049553
chemicalCompound:mwFreebase	610.764
chemicalCompound:alogp	-0.805
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	123.6
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.31
chemicalCompound:acdLogP	-2.645
chemicalCompound:acdLogD	-2.046
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	610.764
chemicalCompound:chemblId	CHEMBL1626662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149553
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No