canSAR2099434
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@@H](CC1CCCCC1)N=C(O)[C@H]1C[C@@H]2C[C@@H]2N1C(=O)Cn1nc(C(C)=O)c2cccnc21
    InChI
    InChI=1S/C27H35N5O5/c1-3-37-27(36)20(12-17-8-5-4-6-9-17)29-26(35)22-14-18-13-21(18)32(22)23(34)15-31-25-19(10-7-11-28-25)24(30-31)16(2)33/h7,10-11,17-18,20-22H,3-6,8-9,12-15H2,1-2H3,(H,29,35)/t18-,20+,21-,22+/m0/s1
    MOLECULAR FORMULA
    C27H35N5O5
    CROSS REFERENCES
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    canSAR2099434
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight509.26
    AlogP3.48
    HBond donors1
    HBond acceptors10
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099434.