canSAR818380
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]cc(C[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCCCCCNC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](CCCCN)NC3=O)c2c1
    InChI
    InChI=1S/C56H71N9O9/c1-36(66)50-56(73)64-45(30-37-18-8-5-9-19-37)51(68)58-29-17-4-3-14-25-49(67)60-46(31-38-20-10-6-11-21-38)53(70)62-47(32-39-22-12-7-13-23-39)54(71)63-48(55(72)61-44(52(69)65-50)24-15-16-28-57)33-40-35-59-43-27-26-41(74-2)34-42(40)43/h5-13,18-23,26-27,34-36,44-48,50,59,66H,3-4,14-17,24-25,28-33,57H2,1-2H3,(H,58,68)(H,60,67)(H,61,72)(H,62,70)(H,63,71)(H,64,73)(H,65,69)/t36-,44+,45+,46-,47+,48+,50-/m0/s1
    MOLECULAR FORMULA
    C56H71N9O9
    CROSS REFERENCES
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    canSAR818380
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1013.54
    AlogP2.95
    HBond donors11
    HBond acceptors18
    Atoms145
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818380.