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canSAR660738
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)O)cc1.N[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)CC1
    InChI
    InChI=1S/C25H39N3O5.C7H8O3S/c26-20-1-3-21(4-2-20)28-23(30)22(29)27-14-15-5-7-24(8-6-15)31-25(33-32-24)18-10-16-9-17(12-18)13-19(25)11-16;1-6-2-4-7(5-3-6)11(8,9)10/h15-21H,1-14,26H2,(H,27,29)(H,28,30);2-5H,1H3,(H,8,9,10)/t15-,16?,17?,18?,19?,20-,21-,24+,25-;
    MOLECULAR FORMULA
    C32H47N3O8S
    CROSS REFERENCES
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    canSAR660738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 633.31
    AlogP 3.75
    HBond donors 5
    HBond acceptors 11
    Atoms 91
    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 canSAR660738.