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canSAR1124704
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C45H56N8O7/c1-28(54)39-43(58)50-35(25-30-16-7-4-8-17-30)45(60)53-23-13-21-38(53)42(57)48-34(24-29-14-5-3-6-15-29)40(55)49-36(26-31-27-47-33-19-10-9-18-32(31)33)44(59)52(2)37(41(56)51-39)20-11-12-22-46/h3-10,14-19,27-28,34-39,47,54H,11-13,20-26,46H2,1-2H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/t28-,34+,35+,36-,37+,38+,39+/m1/s1
    MOLECULAR FORMULA
    C45H56N8O7
    CROSS REFERENCES
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    canSAR1124704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 820.43
    AlogP 1.48
    HBond donors 8
    HBond acceptors 15
    Atoms 116
    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 canSAR1124704.