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canSAR463111
FEATURES
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NAMES
    SMILES
    C/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](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](COCCCCO)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/C66H119N11O14/c1-24-26-29-44(15)56(80)55-60(84)68-46(25-2)61(85)71(17)36-52(79)72(18)48(32-38(3)4)59(83)70-53(42(11)12)65(89)73(19)49(33-39(5)6)58(82)67-45(16)57(81)69-47(37-91-31-28-27-30-78)62(86)74(20)50(34-40(7)8)63(87)75(21)51(35-41(9)10)64(88)76(22)54(43(13)14)66(90)77(55)23/h24,26,38-51,53-56,78,80H,25,27-37H2,1-23H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b26-24+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1
    MOLECULAR FORMULA
    C66H119N11O14
    CROSS REFERENCES
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    canSAR463111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1289.89
    AlogP 3.04
    HBond donors 6
    HBond acceptors 25
    Atoms 210
    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 canSAR463111.