Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C53H68N4O13/c1-25-16-15-17-26(2)50(65)55-41-45(63)37-36(40-48(41)69-35-23-32(22-33(59)39(35)54-40)57-20-19-51(8,9)56(13)52(10,11)24-57)38-47(30(6)44(37)62)70-53(12,49(38)64)67-21-18-34(66-14)27(3)46(68-31(7)58)29(5)43(61)28(4)42(25)60/h15-18,21-23,25,27-29,34,42-43,46,59-62H,19-20,24H2,1-14H3,(H,55,65)/b16-15+,21-18+,26-17-/t25-,27+,28+,29+,34-,42-,43+,46+,53-/m0/s1
chemicalCompound:standardIn...
NYQQCQUICGAJKY-FSCYXHAYSA-N
chemicalCompound:canonicalS...
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5Oc6cc(cc(O)c6N=C5c4c3C2=O)N7CCC(C)(C)N(C)C(C)(C)C7)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C
chemicalCompound:molecularF...
C53H68N4O13
chemicalCompound:moleculeId
704844
chemicalCompound:mwFreebase
969.126
chemicalCompound:alogp
5.155
chemicalCompound:hba
16
chemicalCompound:hbd
5
chemicalCompound:psa
226.22
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
4.284
chemicalCompound:acdLogP
5.263
chemicalCompound:acdLogD
2.195
chemicalCompound:molecularS...
chemicalCompound:fullMwt
969.126
chemicalCompound:acdMostBpk...
9.233
chemicalCompound:chemblId
CHEMBL1255863
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