canSAR2096301
FEATURES
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NAMES
    SMILES
    Cc1nc(N[C@@H](C)c2cncc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1
    InChI
    InChI=1S/C30H31N7O2/c1-18-17-39-28-5-4-21(11-26(18)28)27-12-29(36-20(3)35-27)34-19(2)22-10-23(14-31-13-22)24-15-32-30(33-16-24)37-8-6-25(38)7-9-37/h4-5,10-17,19,25,38H,6-9H2,1-3H3,(H,34,35,36)/t19-/m0/s1
    MOLECULAR FORMULA
    C30H31N7O2
    CROSS REFERENCES
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    canSAR2096301
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.25
    AlogP5.49
    HBond donors2
    HBond acceptors9
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096301.