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canSAR22044
FEATURES
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NAMES
    SMILES
    CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
    InChI
    InChI=1S/C59H90N8O11/c1-17-38(10)45-56(74)64(14)46(35(4)5)51(69)60-41(31-34(2)3)54(72)66(16)49(59(11,12)77)58(76)78-48(37(8)9)57(75)65(15)47(36(6)7)52(70)61-42(32-39-25-20-18-21-26-39)53(71)63(13)44(33-40-27-22-19-23-28-40)55(73)67-30-24-29-43(67)50(68)62-45/h18-23,25-28,34-38,41-49,77H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t38?,41-,42-,43-,44-,45-,46-,47-,48+,49+/m0/s1
    MOLECULAR FORMULA
    C59H90N8O11
    CROSS REFERENCES
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    canSAR22044

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1086.67
    AlogP 3.98
    HBond donors 4
    HBond acceptors 19
    Atoms 168
    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 canSAR22044.