canSAR2064624
FEATURES
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NAMES
    SMILES
    C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H]3C
    InChI
    InChI=1S/C39H43N5O9/c1-9-21-17(3)24-13-26-19(5)23(11-12-31(45)42-30(37(48)49)16-32(46)47)35(43-26)34(39(51)53-8)36-33(38(50)52-7)20(6)27(44-36)15-29-22(10-2)18(4)25(41-29)14-28(21)40-24/h9,13-15,19,23,30,40,44H,1,10-12,16H2,2-8H3,(H,42,45)(H,46,47)(H,48,49)/b24-13-,25-14-,26-13-,27-15-,28-14-,29-15-,35-34+,36-34+/t19-,23-,30-/m0/s1
    MOLECULAR FORMULA
    C39H43N5O9
    CROSS REFERENCES
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    canSAR2064624
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight725.31
    AlogP6.20
    HBond donors5
    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 canSAR2064624.