605776

Source:http://linkedlifedata.com/resource/chembl/compound/605776

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14?,19?/m1/s1
chemicalCompound:standardIn...	INQLNSVYIFCUML-RQYZBYOKSA-N
chemicalCompound:canonicalS...	NC(=O)c1csc(n1)C2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3OC([C@@H](O)[C@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
chemicalCompound:molecularF...	C19H25N7O14P2S
chemicalCompound:moleculeId	605776
chemicalCompound:mwFreebase	669.453
chemicalCompound:alogp	-3.707
chemicalCompound:hba	19
chemicalCompound:hbd	8
chemicalCompound:psa	375.13
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.133
chemicalCompound:acdLogP	-2.443
chemicalCompound:acdLogD	-6.941
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	669.453
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL605391
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:705776
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:136487, activity:136488, activity:136489, activity:136490, activity:136491, activity:136492, activity:145937, activity:145938, activity:145939, activity:145940, activity:145941, activity:145942, activity:244748, activity:244749, activity:244750, activity:244751, activity:321266, activity:627125, activity:627126, activity:627127, activity:627128, activity:627129, activity:940667, activity:940668, activity:1040358, activity:1040359, activity:1040360, activity:1040361, activity:1147593, activity:1252193, activity:1252194, activity:1252195, activity:1252196, activity:1252197, activity:1752490, activity:5241976, activity:5241997, activity:5242038