Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C42H49N5O7/c43-39(9-11-41(51)27-17-23-5-7-25(48)31-29(23)37(41,33(39)53-31)13-15-46(27)19-21-1-2-21)35-44-36(50)40(45-35)10-12-42(52)28-18-24-6-8-26(49)32-30(24)38(42,34(40)54-32)14-16-47(28)20-22-3-4-22/h5-8,21-22,27-28,33-34,48-49,51-52H,1-4,9-20,43H2,(H,44,45,50)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1
chemicalCompound:standardIn...
QJMWONLUUGZNIQ-DQSJYHHLSA-N
chemicalCompound:canonicalS...
N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC6CC6)c45)C7=NC(=O)[C@@]8(CC[C@@]9(O)[C@H]%10Cc%11ccc(O)c%12O[C@@H]8C9(CCN%10CC%13CC%13)c%11%12)N7
chemicalCompound:molecularF...
C42 H49 N5 O7
chemicalCompound:moleculeId
81245
chemicalCompound:mwFreebase
735.868
chemicalCompound:alogp
2.324
chemicalCompound:hba
12
chemicalCompound:hbd
6
chemicalCompound:psa
173.33
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.241
chemicalCompound:acdLogP
0.712
chemicalCompound:acdLogD
-0.937
chemicalCompound:molecularS...
chemicalCompound:fullMwt
735.868
chemicalCompound:acdMostBpk...
8.911
chemicalCompound:chemblId
CHEMBL298574
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity