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canSAR780412
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(CNC)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C41H61N7O5S/c1-7-39(4)20-31(40(5)26(2)8-14-41(27(3)36(39)52)15-9-30(49)35(40)41)53-33(51)23-54-29-11-17-46(18-12-29)32(50)13-19-48-25-45-34-37(43-24-44-38(34)48)47-16-10-28(22-47)21-42-6/h7,24-29,31,35-36,42,52H,1,8-23H2,2-6H3/t26-,27+,28?,31-,35-,36+,39-,40+,41+/m1/s1
    MOLECULAR FORMULA
    C41H61N7O5S
    CROSS REFERENCES
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    canSAR780412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 763.45
    AlogP 4.89
    HBond donors 2
    HBond acceptors 12
    Atoms 115
    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 canSAR780412.