canSAR1604625
FEATURES
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NAMES
    SMILES
    COc1cccc(F)c1CC1C[C@H](C(F)(F)F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1
    InChI
    InChI=1S/C31H29F4N5O2/c1-40-16-20-13-18(6-8-26(20)39-40)29-24-14-19(7-9-27(24)37-38-29)30(41)36-22-11-17(10-21(15-22)31(33,34)35)12-23-25(32)4-3-5-28(23)42-2/h3-9,13-14,16-17,21-22H,10-12,15H2,1-2H3,(H,36,41)(H,37,38)/t17?,21-,22+/m0/s1
    MOLECULAR FORMULA
    C31H29F4N5O2
    CROSS REFERENCES
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    canSAR1604625
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight579.23
    AlogP6.58
    HBond donors2
    HBond acceptors7
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1604625.