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canSAR1121877
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
    InChI
    InChI=1S/C42H66N10O14/c1-9-21(6)34(41(64)49-27(16-30(44)54)38(61)48-28(17-32(56)57)39(62)50-29(42(65)66)14-19(2)3)52-40(63)33(20(4)5)51-36(59)23(8)46-31(55)18-45-35(58)22(7)47-37(60)26(43)15-24-10-12-25(53)13-11-24/h10-13,19-23,26-29,33-34,53H,9,14-18,43H2,1-8H3,(H2,44,54)(H,45,58)(H,46,55)(H,47,60)(H,48,61)(H,49,64)(H,50,62)(H,51,59)(H,52,63)(H,56,57)(H,65,66)/t21-,22-,23-,26-,27-,28-,29-,33-,34-/m0/s1
    MOLECULAR FORMULA
    C42H66N10O14
    CROSS REFERENCES
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    canSAR1121877

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 934.48
    AlogP -3.01
    HBond donors 15
    HBond acceptors 24
    Atoms 132
    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 canSAR1121877.