canSAR1417007
FEATURES
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NAMES
    SMILES
    CC1CCCCN1CCCNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12
    InChI
    InChI=1S/C27H28ClFN6O2/c1-16-5-2-3-11-35(16)12-4-10-30-27-31-15-20-19-8-6-17(26(36)37)13-23(19)33-25(24(20)34-27)32-18-7-9-22(29)21(28)14-18/h6-9,13-16H,2-5,10-12H2,1H3,(H,32,33)(H,36,37)(H,30,31,34)
    MOLECULAR FORMULA
    C27H28ClFN6O2
    CROSS REFERENCES
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    canSAR1417007
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight522.19
    AlogP6.09
    HBond donors3
    HBond acceptors8
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417007.