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canSAR2208697
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NAMES
    SMILES
    CC(=O)c1cn(CC(=O)N2[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3F)C[C@H]3C[C@H]32)c2ccc(NC(=O)NC3CC3)cc12
    InChI
    InChI=1S/C30H31ClFN5O4/c1-15(20-4-3-5-23(31)28(20)32)33-29(40)26-11-17-10-25(17)37(26)27(39)14-36-13-22(16(2)38)21-12-19(8-9-24(21)36)35-30(41)34-18-6-7-18/h3-5,8-9,12-13,15,17-18,25-26H,6-7,10-11,14H2,1-2H3,(H,33,40)(H2,34,35,41)/t15-,17-,25-,26+/m1/s1
    MOLECULAR FORMULA
    C30H31ClFN5O4
    CROSS REFERENCES
    2208697 logo

    canSAR2208697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.20
    AlogP 4.79
    HBond donors 3
    HBond acceptors 9
    Atoms 72
    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 canSAR2208697.