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canSAR1143498
FEATURES
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NAMES
    SMILES
    CCC(C)CCCCCOC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O
    InChI
    InChI=1S/C53H105N13O11/c1-7-35(4)21-9-8-20-32-77-53(76)43(26-14-19-31-58)64-52(75)45(37(6)68)66-50(73)42(25-13-18-30-57)62-48(71)40(23-11-16-28-55)63-51(74)44(36(5)67)65-49(72)41(24-12-17-29-56)61-47(70)39(22-10-15-27-54)60-46(69)38(59)33-34(2)3/h34-45,67-68H,7-33,54-59H2,1-6H3,(H,60,69)(H,61,70)(H,62,71)(H,63,74)(H,64,75)(H,65,72)(H,66,73)/t35?,36-,37-,38+,39-,40+,41+,42+,43+,44+,45+/m1/s1
    MOLECULAR FORMULA
    C53H105N13O11
    CROSS REFERENCES
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    canSAR1143498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1099.81
    AlogP -0.69
    HBond donors 21
    HBond acceptors 24
    Atoms 182
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143498.