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canSAR986282
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NAMES
    SMILES
    C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)N(C(=O)c1cccc3ncccc13)CC2
    InChI
    InChI=1S/C56H55N5O11S/c1-9-19-67-42-23-32-16-18-60(54(63)35-13-11-15-37-34(35)14-12-17-58-37)56(36(32)24-41(42)65-7)27-73-53-45-44(52-50(70-28-71-52)30(4)49(45)72-31(5)62)40(26-69-55(56)64)61-39(25-57)38-22-33-21-29(3)48(66-8)51(68-20-10-2)43(33)46(47(53)61)59(38)6/h9-15,17,21,23-24,38-40,46-47,53H,1-2,16,18-20,22,26-28H2,3-8H3/t38-,39-,40+,46+,47+,53+,56+/m0/s1
    MOLECULAR FORMULA
    C56H55N5O11S
    CROSS REFERENCES
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    canSAR986282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1005.36
    AlogP 7.81
    HBond donors 0
    HBond acceptors 16
    Atoms 128
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR986282.