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canSAR671550
FEATURES
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NAMES
    SMILES
    Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4C3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3cc(C)ccc32)c1
    InChI
    InChI=1S/C33H37N7O4/c1-18-4-6-20(3)22(12-18)15-39-14-21(24-13-19(2)5-9-25(24)39)10-11-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-23-7-8-23/h4-6,9,12-14,16-17,23,27-29,33,41-42H,7-8,10-11,15H2,1-3H3,(H,38,43)(H,34,35,36)/t27-,28+,29-,33?/m0/s1
    MOLECULAR FORMULA
    C33H37N7O4
    CROSS REFERENCES
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    canSAR671550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.29
    AlogP 3.31
    HBond donors 4
    HBond acceptors 11
    Atoms 81
    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 canSAR671550.