canSAR824091
FEATURES
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NAMES
    SMILES
    CNCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1
    InChI
    InChI=1S/C74H93N13O15S2/c1-43(89)62-72(99)83-58(36-47-21-11-6-12-22-47)70(97)87-63(44(2)90)73(100)84-60(40-88)71(98)85-61(74(101)102)42-104-103-41-53(76)64(91)78-54(25-15-16-32-75)65(92)79-55(34-45-17-7-4-8-18-45)66(93)80-56(35-46-19-9-5-10-20-46)67(94)82-59(38-50-30-31-51-23-13-14-24-52(51)33-50)68(95)81-57(69(96)86-62)37-48-26-28-49(29-27-48)39-77-3/h4-14,17-24,26-31,33,43-44,53-63,77,88-90H,15-16,25,32,34-42,75-76H2,1-3H3,(H,78,91)(H,79,92)(H,80,93)(H,81,95)(H,82,94)(H,83,99)(H,84,100)(H,85,98)(H,86,96)(H,87,97)(H,101,102)/t43-,44-,53-,54-,55-,56+,57+,58+,59-,60+,61+,62-,63-/m1/s1
    MOLECULAR FORMULA
    C74H93N13O15S2
    CROSS REFERENCES
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    canSAR824091
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1467.64
    AlogP-0.39
    HBond donors19
    HBond acceptors28
    Atoms197
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824091.