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canSAR1528921
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CCC6Cc7nc8c(nc7C[C@@]6(C)C5C[C@H](O)[C@@]4(C)[C@]13O)CC1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@]3(O)[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O
    InChI
    InChI=1S/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27+,28?,29?,30+,31+,33-,34?,40+,42+,43+,44-,46-,47-,48-,49+,50+,51-,52+,53+,54-/m1/s1
    MOLECULAR FORMULA
    C54H74N2O11
    CROSS REFERENCES
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    canSAR1528921

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 926.53
    AlogP 4.62
    HBond donors 6
    HBond acceptors 13
    Atoms 141
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1528921.