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canSAR1062895
FEATURES
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NAMES
    SMILES
    C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C
    InChI
    InChI=1S/C46H70ClN5O10S/c1-14-27(5)39-42(55)49-32(10)46(59)62-40(28(6)15-2)30(8)36(60-25-63-13)21-16-29(7)45(58)61-37(22-26(3)4)41(54)48-31(9)43(56)52(12)35(23-33-17-19-34(47)20-18-33)44(57)51(11)24-38(53)50-39/h15-20,26-27,30-32,35-37,39-40H,14,21-25H2,1-13H3,(H,48,54)(H,49,55)(H,50,53)/b28-15+,29-16+/t27-,30-,31-,32+,35+,36-,37+,39-,40+/m0/s1
    MOLECULAR FORMULA
    C46H70ClN5O10S
    CROSS REFERENCES
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    canSAR1062895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 919.45
    AlogP 5.24
    HBond donors 3
    HBond acceptors 15
    Atoms 133
    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 canSAR1062895.