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canSAR1121938
FEATURES
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NAMES
    SMILES
    CC[C@@H]1NC(=O)[C@H]([C@H](O)C(C)CCCc2ccccc2)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/C67H115N11O12/c1-24-48-63(86)72(17)37-53(79)73(18)49(33-38(2)3)60(83)71-54(42(10)11)66(89)74(19)50(34-39(4)5)59(82)68-45(15)58(81)69-46(16)62(85)75(20)51(35-40(6)7)64(87)76(21)52(36-41(8)9)65(88)77(22)55(43(12)13)67(90)78(23)56(61(84)70-48)57(80)44(14)29-28-32-47-30-26-25-27-31-47/h25-27,30-31,38-46,48-52,54-57,80H,24,28-29,32-37H2,1-23H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/t44?,45-,46+,48-,49-,50-,51-,52-,54-,55-,56-,57+/m0/s1
    MOLECULAR FORMULA
    C67H115N11O12
    CROSS REFERENCES
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    canSAR1121938

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1265.87
    AlogP 4.33
    HBond donors 5
    HBond acceptors 23
    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 canSAR1121938.