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canSAR352647
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O
    InChI
    InChI=1S/C76H116N14O20/c1-8-44(4)63(72(104)89-65(47(7)93)74(106)84-53(37-43(2)3)68(100)86-56(76(109)110)39-49-41-79-51-30-25-24-29-50(49)51)87-67(99)52(34-35-59(77)94)82-71(103)58-31-26-36-90(58)62(97)33-23-18-16-14-12-10-9-11-13-15-17-22-32-61(96)81-57(42-91)70(102)88-64(46(6)92)73(105)80-45(5)66(98)83-54(40-60(78)95)69(101)85-55(75(107)108)38-48-27-20-19-21-28-48/h19-21,24-25,27-30,41,43-47,52-58,63-65,79,91-93H,8-18,22-23,26,31-40,42H2,1-7H3,(H2,77,94)(H2,78,95)(H,80,105)(H,81,96)(H,82,103)(H,83,98)(H,84,106)(H,85,101)(H,86,100)(H,87,99)(H,88,102)(H,89,104)(H,107,108)(H,109,110)/t44?,45-,46?,47+,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1
    MOLECULAR FORMULA
    C76H116N14O20
    CROSS REFERENCES
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    canSAR352647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1544.85
    AlogP 0.43
    HBond donors 20
    HBond acceptors 34
    Atoms 226
    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 canSAR352647.