canSAR2064315
FEATURES
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NAMES
    SMILES
    C=CC1=C(C)/C2=C/C3N=C(/C(CC(=O)N[C@@](C)(CC(=O)[O-])C(=O)[O-])=c4\[nH]/c(c(C)c4C(=O)[O-])=C\C4=N/C(=C\C1=N2)C(C)=C4CC)[C@@H](CCC(=O)[O-])[C@@H]3C.[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C39H43N5O9.4Na/c1-8-21-17(3)25-13-27-19(5)23(10-11-32(46)47)35(42-27)24(12-31(45)44-39(7,38(52)53)16-33(48)49)36-34(37(50)51)20(6)28(43-36)15-30-22(9-2)18(4)26(41-30)14-29(21)40-25;;;;/h8,13-15,19,23,27,43H,1,9-12,16H2,2-7H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53);;;;/q;4*+1/p-4/b25-13-,26-14-,28-15-,36-24-;;;;/t19-,23-,27?,39-;;;;/m0..../s1
    MOLECULAR FORMULA
    C39H39N5Na4O9
    CROSS REFERENCES
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    canSAR2064315
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight813.23
    AlogP-13.69
    HBond donors2
    HBond acceptors14
    Atoms96
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064315.