canSAR1587943
FEATURES
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NAMES
    SMILES
    CC(C)(C)n1cc2cc(Nc3nc(N[C@@H]4CCOC[C@@H]4N)nnc3C(N)=O)cc(Cl)c2n1
    InChI
    InChI=1S/C20H26ClN9O2/c1-20(2,3)30-8-10-6-11(7-12(21)15(10)29-30)24-18-16(17(23)31)27-28-19(26-18)25-14-4-5-32-9-13(14)22/h6-8,13-14H,4-5,9,22H2,1-3H3,(H2,23,31)(H2,24,25,26,28)/t13-,14+/m0/s1
    MOLECULAR FORMULA
    C20H26ClN9O2
    CROSS REFERENCES
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    canSAR1587943
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight459.19
    AlogP2.00
    HBond donors6
    HBond acceptors11
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587943.