Statements in which the resource exists as a subject.
PredicateObject
chemicalCompound:parent
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1
chemicalCompound:standardIn...
VRQHBYGYXDWZDL-OOZCZQCLSA-N
chemicalCompound:canonicalS...
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(CC2=NN(C(=O)N2)P(=O)(O)O)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
chemicalCompound:molecularF...
C37H56F7N6O16P
chemicalCompound:moleculeId
675733
chemicalCompound:mwFreebase
614.407
chemicalCompound:alogp
4.997
chemicalCompound:hba
9
chemicalCompound:hbd
3
chemicalCompound:psa
139.98
chemicalCompound:rtb
9
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
-2.099
chemicalCompound:acdLogP
3.161
chemicalCompound:acdLogD
-1.339
chemicalCompound:molecularS...
chemicalCompound:fullMwt
1004.83
chemicalCompound:acdMostBpk...
3.337
chemicalCompound:chemblId
CHEMBL1201782
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
Yes
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
FOSAPREPITANT DIMEGLUMINE
chemicalCompound:firstAppro...
2008