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canSAR1141621
FEATURES
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NAMES
    SMILES
    CC/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
    InChI
    InChI=1S/C60H107N11O12/c1-24-26-27-28-38(13)50(73)49-54(77)63-42(25-2)56(79)65(17)32-46(72)67(19)43(29-33(3)4)53(76)64-47(36(9)10)59(82)66(18)41(16)52(75)61-39(14)51(74)62-40(15)55(78)68(20)44(30-34(5)6)57(80)69(21)45(31-35(7)8)58(81)70(22)48(37(11)12)60(83)71(49)23/h26-27,33-45,47-50,73H,24-25,28-32H2,1-23H3,(H,61,75)(H,62,74)(H,63,77)(H,64,76)/b27-26+/t38-,39+,40-,41+,42+,43-,44+,45+,47-,48+,49+,50-/m1/s1
    MOLECULAR FORMULA
    C60H107N11O12
    CROSS REFERENCES
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    canSAR1141621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1173.81
    AlogP 2.63
    HBond donors 5
    HBond acceptors 23
    Atoms 190
    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 canSAR1141621.