canSAR824324
FEATURES
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NAMES
    SMILES
    COC(=O)C1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](NC(=O)[C@H](C(=O)O)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C61H50N6O21/c1-23-37(71)16-28-18-39(23)88-40-17-26(7-14-36(40)70)43(60(82)83)54(76)66-49-51(73)24-3-9-31(10-4-24)86-41-19-29-20-42(53(41)75)87-32-11-5-25(6-12-32)52(74)50-59(81)65-48(61(84)85-2)34-21-30(68)22-38(72)44(34)33-15-27(8-13-35(33)69)45(55(77)67-50)62-57(79)47(29)63-56(78)46(28)64-58(49)80/h3-22,43,45-52,68-75H,1-2H3,(H,62,79)(H,63,78)(H,64,80)(H,65,81)(H,66,76)(H,67,77)(H,82,83)/t43-,45-,46+,47-,48?,49?,50+,51-,52?/m1/s1
    MOLECULAR FORMULA
    C61H50N6O21
    CROSS REFERENCES
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    canSAR824324
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1202.30
    AlogP3.73
    HBond donors15
    HBond acceptors27
    Atoms138
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824324.