canSAR824060
FEATURES
Loading...
NAMES
    SMILES
    CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1
    InChI
    InChI=1S/C74H97N15O15S2/c1-41(2)78-36-48-24-22-46(23-25-48)33-57-70(100)88-62(42(3)91)73(103)85-58(34-47-26-28-50(93)29-27-47)71(101)89-63(43(4)92)74(104)86-60(38-90)72(102)87-61(64(77)94)40-106-105-39-52(76)65(95)80-54(21-13-14-30-75)66(96)81-55(31-44-15-7-5-8-16-44)67(97)82-56(32-45-17-9-6-10-18-45)68(98)84-59(69(99)83-57)35-49-37-79-53-20-12-11-19-51(49)53/h5-12,15-20,22-29,37,41-43,52,54-63,78-79,90-93H,13-14,21,30-36,38-40,75-76H2,1-4H3,(H2,77,94)(H,80,95)(H,81,96)(H,82,97)(H,83,99)(H,84,98)(H,85,103)(H,86,104)(H,87,102)(H,88,100)(H,89,101)/t42-,43-,52-,54-,55-,56+,57+,58+,59+,60+,61+,62-,63-/m1/s1
    MOLECULAR FORMULA
    C74H97N15O15S2
    CROSS REFERENCES
    Loading...
    canSAR824060
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1499.67
    AlogP-1.18
    HBond donors22
    HBond acceptors30
    Atoms203
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824060.