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canSAR354450
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)c1cc(C(=CCC[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@@]3(C)C4CC[C@@H]3C(C)CCCC(C)C)C2)c2cc(Cl)c(O)c(C(=O)N[C@@H](CCSC)C(=O)O)c2)cc(Cl)c1O)C(=O)O
    InChI
    InChI=1S/C55H78Cl2N2O8S2/c1-31(2)10-8-11-32(3)41-16-17-42-38-15-14-36-26-33(18-22-54(36,4)43(38)19-23-55(41,42)5)12-9-13-37(34-27-39(48(60)44(56)29-34)50(62)58-46(52(64)65)20-24-68-6)35-28-40(49(61)45(57)30-35)51(63)59-47(53(66)67)21-25-69-7/h13,27-33,36,38,41-43,46-47,60-61H,8-12,14-26H2,1-7H3,(H,58,62)(H,59,63)(H,64,65)(H,66,67)/t32?,33-,36?,38?,41+,42?,43?,46-,47-,54-,55+/m0/s1
    MOLECULAR FORMULA
    C55H78Cl2N2O8S2
    CROSS REFERENCES
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    canSAR354450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1028.46
    AlogP 13.23
    HBond donors 6
    HBond acceptors 10
    Atoms 147
    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 canSAR354450.