canSAR1846359
FEATURES
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NAMES
    SMILES
    CC1C(O)C2(Oc3cc4c(c5c3[C@@H](CC5O)[C@H]2C)CCC2Cc3nc5c(nc3C[C@@]42C)CC2CCC3C4=C[C@H]6O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@H](C)[C@@]6(O)[C@]4(C)[C@@H](O)CC3[C@]2(C)C5)OC1(C)C
    InChI
    InChI=1S/C54H72N2O10/c1-24-31-16-39(58)44-30-13-11-28-15-36-37(20-49(28,7)32(30)17-40(45(31)44)63-53(24)46(61)25(2)47(4,5)65-53)55-35-14-27-10-12-29-33(50(27,8)21-38(35)56-36)18-41(59)51(9)34(29)19-43-52(51,62)26(3)54(64-43)42(60)22-48(6,23-57)66-54/h17,19,24-29,31,33,39,41-43,46,57-62H,10-16,18,20-23H2,1-9H3/t24-,25?,26-,27?,28?,29?,31+,33?,39?,41+,42+,43-,46?,48-,49-,50-,51+,52+,53?,54-/m1/s1
    MOLECULAR FORMULA
    C54H72N2O10
    CROSS REFERENCES
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    canSAR1846359
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight908.52
    AlogP5.60
    HBond donors6
    HBond acceptors12
    Atoms138
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846359.