75302

Source:http://linkedlifedata.com/resource/chembl/compound/75302

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:75302_BIBR-953_RESEARCH_CODE, synonym:75302_Dabigatran_OTHER
chemicalCompound:standardIn...	InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
chemicalCompound:standardIn...	YBSJFWOBGCMAKL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c(CNc2ccc(cc2)C(=N)N)nc3cc(ccc13)C(=O)N(CCC(=O)O)c4ccccn4
chemicalCompound:molecularF...	C25 H25 N7 O3
chemicalCompound:moleculeId	75302
chemicalCompound:mwFreebase	471.511
chemicalCompound:alogp	2.302
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	150.22
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.171
chemicalCompound:acdLogP	1.024
chemicalCompound:acdLogD	-1.476
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	471.511
chemicalCompound:acdMostBpk...	12.618
chemicalCompound:chemblId	CHEMBL48361
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:175302
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	DABIGATRAN
chemicalCompound:firstAppro...	2008
chemicalCompound:activity	activity:1096882, activity:1096883, activity:1096884, activity:1096885, activity:1096886, activity:1096887, activity:1096888, activity:1096889, activity:8040628