Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C50H60N4O13/c1-22-12-11-13-23(2)49(62)52-40-44(60)36-35(39-47(40)66-34-19-31(18-32(56)38(34)51-39)54-20-29-14-15-30(21-54)53(29)9)37-46(27(6)43(36)59)67-50(8,48(37)61)64-17-16-33(63-10)24(3)45(65-28(7)55)26(5)42(58)25(4)41(22)57/h11-13,16-19,22,24-26,29-30,33,41-42,45,56-59H,14-15,20-21H2,1-10H3,(H,52,62)/b12-11+,17-16+,23-13-/t22-,24+,25+,26+,29?,30?,33-,41-,42+,45+,50-/m0/s1
chemicalCompound:standardIn...
UCJADMBSBUCTMC-NFDDPLPLSA-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)N7CC8CCC(C7)N8C)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...
C50H60N4O13
chemicalCompound:moleculeId
704840
chemicalCompound:mwFreebase
925.03
chemicalCompound:alogp
4.446
chemicalCompound:hba
16
chemicalCompound:hbd
5
chemicalCompound:psa
226.21
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
4.284
chemicalCompound:acdLogP
3.583
chemicalCompound:acdLogD
0.477
chemicalCompound:molecularS...
chemicalCompound:fullMwt
925.03
chemicalCompound:acdMostBpk...
9.477
chemicalCompound:chemblId
CHEMBL1255859
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