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canSAR784101
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)C(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C42H65N11O12S2/c1-7-22(4)35-41(64)48-26(12-13-31(43)55)38(61)50-29(18-32(44)56)39(62)51-30(42(65)53(6)23(5)36(59)49-27(16-21(2)3)37(60)46-19-33(45)57)20-67-66-15-14-34(58)47-28(40(63)52-35)17-24-8-10-25(54)11-9-24/h8-11,21-23,26-30,35,54H,7,12-20H2,1-6H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,60)(H,47,58)(H,48,64)(H,49,59)(H,50,61)(H,51,62)(H,52,63)/t22-,23?,26+,27-,28+,29-,30-,35-/m0/s1
    MOLECULAR FORMULA
    C42H65N11O12S2
    CROSS REFERENCES
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    canSAR784101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 979.43
    AlogP -2.69
    HBond donors 14
    HBond acceptors 23
    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 canSAR784101.