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canSAR1018227
FEATURES
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NAMES
    SMILES
    CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C)C(N)=O
    InChI
    InChI=1S/C52H61N9O5/c1-58(2)46(27-37-29-55-41-21-11-9-19-39(37)41)51(65)60-31-35-17-7-5-15-33(35)25-44(60)49(63)54-24-14-13-23-43(48(53)62)57-50(64)45-26-34-16-6-8-18-36(34)32-61(45)52(66)47(59(3)4)28-38-30-56-42-22-12-10-20-40(38)42/h5-12,15-22,29-30,43-47,55-56H,13-14,23-28,31-32H2,1-4H3,(H2,53,62)(H,54,63)(H,57,64)/t43-,44-,45-,46-,47-/m0/s1
    MOLECULAR FORMULA
    C52H61N9O5
    CROSS REFERENCES
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    canSAR1018227

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 891.48
    AlogP 4.46
    HBond donors 6
    HBond acceptors 14
    Atoms 127
    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 canSAR1018227.