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canSAR1124067
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C[C@H]2NC(=O)[C@@H](N)CSSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1
    InChI
    InChI=1S/C48H70N12O11S2/c1-4-71-30-17-15-29(16-18-30)22-33-43(65)56-34(21-28-11-6-5-7-12-28)45(67)59-40(27(2)3)47(69)57-35(23-38(51)61)44(66)58-36(26-73-72-25-31(50)41(63)55-33)48(70)60-20-10-14-37(60)46(68)54-32(13-8-9-19-49)42(64)53-24-39(52)62/h5-7,11-12,15-18,27,31-37,40H,4,8-10,13-14,19-26,49-50H2,1-3H3,(H2,51,61)(H2,52,62)(H,53,64)(H,54,68)(H,55,63)(H,56,65)(H,57,69)(H,58,66)(H,59,67)/t31-,32-,33+,34+,35+,36+,37-,40-/m0/s1
    MOLECULAR FORMULA
    C48H70N12O11S2
    CROSS REFERENCES
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    canSAR1124067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1054.47
    AlogP -2.25
    HBond donors 15
    HBond acceptors 23
    Atoms 143
    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 canSAR1124067.