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canSAR1121701
FEATURES
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NAMES
    SMILES
    CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CC2=Nc3ccccc3CN2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O
    InChI
    InChI=1S/C67H113N13O12/c1-24-46-63(88)74(17)35-53(81)75(18)48(29-36(2)3)60(85)73-54(40(10)11)66(91)76(19)49(30-37(4)5)59(84)69-43(15)58(83)70-44(16)62(87)77(20)50(31-38(6)7)64(89)78(21)51(32-39(8)9)65(90)79(22)55(41(12)13)67(92)80(23)56(61(86)72-46)57(82)42(14)33-52-68-34-45-27-25-26-28-47(45)71-52/h25-28,36-44,46,48-51,54-57,82H,24,29-35H2,1-23H3,(H,68,71)(H,69,84)(H,70,83)(H,72,86)(H,73,85)/t42-,43+,44-,46+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1
    MOLECULAR FORMULA
    C67H113N13O12
    CROSS REFERENCES
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    canSAR1121701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1291.86
    AlogP 3.53
    HBond donors 6
    HBond acceptors 25
    Atoms 205
    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 canSAR1121701.