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canSAR831409
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C61H99N11O23/c1-24(2)39(54(85)65-30(11)59(90)91)68-56(87)41(26(5)6)69-55(86)40(25(3)4)67-51(82)29(10)63-50(81)28(9)64-53(84)36-15-14-20-72(36)58(89)42(27(7)8)70-57(88)43(71-52(83)35(62)21-33-16-18-34(76)19-17-33)31(12)92-60-44(66-32(13)75)49(46(78)38(23-74)93-60)95-61-48(80)47(79)45(77)37(22-73)94-61/h16-19,24-31,35-49,60-61,73-74,76-80H,14-15,20-23,62H2,1-13H3,(H,63,81)(H,64,84)(H,65,85)(H,66,75)(H,67,82)(H,68,87)(H,69,86)(H,70,88)(H,71,83)(H,90,91)/t28-,29-,30-,31+,35-,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46-,47-,48+,49+,60-,61-/m0/s1
    MOLECULAR FORMULA
    C61H99N11O23
    CROSS REFERENCES
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    canSAR831409

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1353.69
    AlogP -5.93
    HBond donors 19
    HBond acceptors 34
    Atoms 194
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831409.