canSAR2080515
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)n2cc3c(n2)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)NCCCN6CCOCC6)CC[C@]54C)[C@@]2(C)C3)cc1OC
    InChI
    InChI=1S/C46H68N4O6S/c1-41(2)17-19-46(40(51)47-21-10-22-49-23-25-56-26-24-49)20-18-44(6)33(34(46)29-41)12-14-38-43(5)28-31-30-50(48-39(31)42(3,4)37(43)15-16-45(38,44)7)57(52,53)32-11-13-35(54-8)36(27-32)55-9/h11-13,27,30,34,37-38H,10,14-26,28-29H2,1-9H3,(H,47,51)/t34-,37-,38+,43-,44+,45+,46-/m0/s1
    MOLECULAR FORMULA
    C46H68N4O6S
    CROSS REFERENCES
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    canSAR2080515
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight804.49
    AlogP7.79
    HBond donors1
    HBond acceptors10
    Atoms125
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080515.