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canSAR1686220
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](Cc3ccccc3)CN2C1=O
    InChI
    InChI=1S/C56H76N16O9/c1-33(73)66-41(21-12-24-63-55(58)59)49(76)71-45-30-47(74)62-23-11-10-20-40(48(57)75)67-52(79)44(29-37-31-65-39-19-9-8-18-38(37)39)69-50(77)42(22-13-25-64-56(60)61)68-51(78)43(27-35-16-6-3-7-17-35)70-53(80)46-28-36(32-72(46)54(45)81)26-34-14-4-2-5-15-34/h2-9,14-19,31,36,40-46,65H,10-13,20-30,32H2,1H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,78)(H,69,77)(H,70,80)(H,71,76)(H4,58,59,63)(H4,60,61,64)/t36-,40+,41-,42+,43-,44+,45+,46+/m1/s1
    MOLECULAR FORMULA
    C56H76N16O9
    CROSS REFERENCES
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    canSAR1686220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1116.60
    AlogP -0.96
    HBond donors 18
    HBond acceptors 25
    Atoms 157
    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 canSAR1686220.