Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C52H60FN5O7.2C4H6O6/c1-7-32-24-33-27-51(48(61)64-6,43-37(18-22-57(28-32)29-33)36-12-9-10-13-40(36)55-43)39-25-38-41(26-42(39)63-5)56(4)46-50(38)20-23-58-21-11-19-49(8-2,45(50)58)47(65-31(3)59)52(46,62)30-54-44(60)34-14-16-35(53)17-15-34;2*5-1(3(7)8)2(6)4(9)10/h9-17,19,24-26,33,45-47,55,62H,7-8,18,20-23,27-30H2,1-6H3,(H,54,60);2*1-2,5-6H,(H,7,8)(H,9,10)/t33-,45-,46+,47+,49+,50+,51-,52-;;/m0../s1
chemicalCompound:standardIn...
NUEBDTOQGKIHIO-UDAFOJFHSA-N
chemicalCompound:canonicalS...
CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@](O)(CNC(=O)c8ccc(F)cc8)[C@@H](OC(=O)C)[C@@]9(CC)C=CCN%10CC[C@]67[C@@H]9%10)C1.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
chemicalCompound:molecularF...
C60H72FN5O19
chemicalCompound:moleculeId
567865
chemicalCompound:mwFreebase
886.06
chemicalCompound:alogp
6.86
chemicalCompound:hba
10
chemicalCompound:hbd
3
chemicalCompound:psa
136.67
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.722
chemicalCompound:acdLogP
9.12
chemicalCompound:acdLogD
8.73
chemicalCompound:molecularS...
chemicalCompound:fullMwt
1186.23
chemicalCompound:acdMostBpk...
7.524
chemicalCompound:chemblId
CHEMBL557394
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