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canSAR828988
FEATURES
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NAMES
    SMILES
    CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc([125I])cc1)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
    InChI
    InChI=1S/C59H72IN13O10/c1-35(2)50(72-52(76)43(67-49(74)33-63-3)16-10-26-65-59(61)62)56(80)69-45(29-38-20-24-41(60)25-21-38)53(77)68-44(28-37-18-22-40(23-19-37)51(75)39-14-8-5-9-15-39)54(78)70-46(31-42-32-64-34-66-42)57(81)73-27-11-17-48(73)55(79)71-47(58(82)83)30-36-12-6-4-7-13-36/h4-9,12-15,18-25,32,34-35,43-48,50,63H,10-11,16-17,26-31,33H2,1-3H3,(H,64,66)(H,67,74)(H,68,77)(H,69,80)(H,70,78)(H,71,79)(H,72,76)(H,82,83)(H4,61,62,65)/t43-,44-,45-,46-,47-,48-,50-/m0/s1/i60-2
    MOLECULAR FORMULA
    C59H72IN13O10
    CROSS REFERENCES
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    canSAR828988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1247.46
    AlogP 1.64
    HBond donors 13
    HBond acceptors 23
    Atoms 155
    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 canSAR828988.