canSAR2173101
FEATURES
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NAMES
    SMILES
    CC(=O)c1nn(CC(=O)N2[C@H]3C[C@H]3C[C@@H]2C(O)=NCC2CCC3(CCC3)CC2)c2cnccc12
    InChI
    InChI=1S/C26H33N5O3/c1-16(32)24-19-5-10-27-14-22(19)30(29-24)15-23(33)31-20-11-18(20)12-21(31)25(34)28-13-17-3-8-26(9-4-17)6-2-7-26/h5,10,14,17-18,20-21H,2-4,6-9,11-13,15H2,1H3,(H,28,34)/t18-,20-,21+/m0/s1
    MOLECULAR FORMULA
    C26H33N5O3
    CROSS REFERENCES
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    canSAR2173101
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight463.26
    AlogP3.94
    HBond donors1
    HBond acceptors8
    Atoms67
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2173101.