canSAR736806
FEATURES
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NAMES
    SMILES
    CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NCC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1
    MOLECULAR FORMULA
    C55H73IN10O17S2
    CROSS REFERENCES
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    canSAR736806
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1336.36
    AlogP-2.97
    HBond donors19
    HBond acceptors27
    Atoms158
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR736806.