canSAR1085245
FEATURES
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NAMES
    SMILES
    C#CCN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@]21C(=O)Nc2ccccc21
    InChI
    InChI=1S/C32H23N5O3/c1-3-16-37-26-15-9-6-12-23(26)32(29(37)40)31(22-11-5-8-14-25(22)35-28(31)39)30(18-33,19-36(32)2)27(38)21-17-34-24-13-7-4-10-20(21)24/h1,4-15,17,34H,16,19H2,2H3,(H,35,39)/t30-,31+,32-/m1/s1
    MOLECULAR FORMULA
    C32H23N5O3
    CROSS REFERENCES
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    canSAR1085245
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight525.18
    AlogP3.57
    HBond donors2
    HBond acceptors8
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1085245.