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canSAR1596758
FEATURES
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NAMES
    SMILES
    CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
    InChI
    InChI=1S/C58H91N17O20S2/c1-29(65-53(90)41-10-6-21-74(41)55(92)34(9-5-20-64-58(62)63)67-52(89)39(27-76)72-47(84)32(60)18-23-97-2)46(83)73-40(28-96)56(93)75-22-7-11-42(75)54(91)71-37(25-43(61)78)50(87)70-38(26-45(81)82)51(88)66-33(8-3-4-19-59)48(85)69-36(24-30-12-14-31(77)15-13-30)49(86)68-35(57(94)95)16-17-44(79)80/h12-15,29,32-42,76-77,96H,3-11,16-28,59-60H2,1-2H3,(H2,61,78)(H,65,90)(H,66,88)(H,67,89)(H,68,86)(H,69,85)(H,70,87)(H,71,91)(H,72,84)(H,73,83)(H,79,80)(H,81,82)(H,94,95)(H4,62,63,64)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C58H91N17O20S2
    CROSS REFERENCES
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    canSAR1596758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1409.61
    AlogP -7.22
    HBond donors 24
    HBond acceptors 37
    Atoms 188
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596758.