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canSAR1121931
FEATURES
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NAMES
    SMILES
    CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNC(C)=O)CC1
    InChI
    InChI=1S/C38H47Cl2N5O3/c1-8-48-33-25-29(36(3,4)5)13-18-32(33)34-42-37(6,27-9-14-30(39)15-10-27)38(7,28-11-16-31(40)17-12-28)45(34)35(47)44-23-21-43(22-24-44)20-19-41-26(2)46/h9-18,25H,8,19-24H2,1-7H3,(H,41,46)/t37-,38+/m0/s1
    MOLECULAR FORMULA
    C38H47Cl2N5O3
    CROSS REFERENCES
    1121931 logo

    canSAR1121931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 691.31
    AlogP 7.46
    HBond donors 1
    HBond acceptors 8
    Atoms 95
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1121931.