canSAR2095648
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc2c1CCCC2)C(C)C)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
    InChI
    InChI=1S/C31H47BN2O4/c1-18(2)15-26(32-37-25-17-21-16-24(30(21,5)6)31(25,7)38-32)33-29(36)27(19(3)4)34-28(35)23-14-10-12-20-11-8-9-13-22(20)23/h10,12,14,18-19,21,24-27H,8-9,11,13,15-17H2,1-7H3,(H,33,36)(H,34,35)/t21-,24-,25?,26-,27-,31-/m0/s1
    MOLECULAR FORMULA
    C31H47BN2O4
    CROSS REFERENCES
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    canSAR2095648
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight522.36
    AlogP5.12
    HBond donors2
    HBond acceptors6
    Atoms85
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095648.