canSAR822170
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C47H62N8O7/c1-5-29(4)40-47(62)55-23-13-19-38(55)43(58)51-36(25-30-14-7-6-8-15-30)46(61)53-21-11-18-37(53)42(57)49-34(26-31-27-48-33-17-10-9-16-32(31)33)41(56)50-35(24-28(2)3)45(60)54-22-12-20-39(54)44(59)52-40/h6-10,14-17,27-29,34-40,48H,5,11-13,18-26H2,1-4H3,(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t29-,34+,35+,36+,37-,38-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C47H62N8O7
    CROSS REFERENCES
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    canSAR822170
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight850.47
    AlogP2.97
    HBond donors5
    HBond acceptors15
    Atoms124
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822170.