canSAR1503280
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N
    InChI
    InChI=1S/C35H51Cl2N7/c1-24(2)17-29-20-40-34(38)43(29)21-28-11-8-15-41(28)23-33(25(3)4)44-22-30(18-26-9-6-5-7-10-26)42(35(44)39)16-14-27-12-13-31(36)32(37)19-27/h5-7,9-10,12-13,19,24-25,28-30,33,39H,8,11,14-18,20-23H2,1-4H3,(H2,38,40)/t28-,29+,30+,33-/m0/s1
    MOLECULAR FORMULA
    C35H51Cl2N7
    CROSS REFERENCES
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    canSAR1503280
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight639.36
    AlogP6.23
    HBond donors3
    HBond acceptors7
    Atoms95
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503280.