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canSAR1125951
FEATURES
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NAMES
    SMILES
    C=CCCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(CCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C76H113N17O14/c1-11-13-21-34-75(9,80)72(106)85-48(8)64(97)88-59(41-50-30-32-52(94)33-31-50)69(102)90-60(40-49-24-16-15-17-25-49)70(103)93-76(10,35-14-12-2)73(107)92-58(39-46(5)6)68(101)87-56(28-20-22-36-77)66(99)89-57(38-45(3)4)67(100)84-47(7)63(96)83-44-62(95)86-55(29-23-37-81-74(78)79)65(98)91-61(71(104)105)42-51-43-82-54-27-19-18-26-53(51)54/h11-12,15-19,24-27,30-33,43,45-48,55-61,82,94H,1-2,13-14,20-23,28-29,34-42,44,77,80H2,3-10H3,(H,83,96)(H,84,100)(H,85,106)(H,86,95)(H,87,101)(H,88,97)(H,89,99)(H,90,102)(H,91,98)(H,92,107)(H,93,103)(H,104,105)(H4,78,79,81)/t47-,48-,55-,56-,57-,58-,59-,60-,61-,75-,76-/m0/s1
    MOLECULAR FORMULA
    C76H113N17O14
    CROSS REFERENCES
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    canSAR1125951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1487.87
    AlogP 1.90
    HBond donors 22
    HBond acceptors 31
    Atoms 220
    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 canSAR1125951.