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canSAR566194
FEATURES
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NAMES
    SMILES
    CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1cc(N)nc(C(CC(N)=O)NCC(N)C(N)=O)n1)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1)C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1.[Br-]
    InChI
    InChI=1S/C54H81N17O21S3.BrH/c1-20(46(82)70-34(22(3)74)49(85)62-9-7-33-66-28(18-93-33)51-68-27(17-94-51)47(83)61-8-6-10-95(4)5)36(76)21(2)65-50(86)35(71-48(84)25-11-31(56)69-45(67-25)24(12-32(57)75)63-13-23(55)44(58)81)41(26-14-60-19-64-26)90-53-43(39(79)37(77)29(15-72)89-53)91-52-40(80)42(92-54(59)87)38(78)30(16-73)88-52;/h11,14,17-24,29-30,34-43,52-53,63,72-74,76-80H,6-10,12-13,15-16,55H2,1-5H3,(H13-,56,57,58,59,60,61,62,64,65,67,69,70,71,75,81,82,83,84,85,86,87);1H
    MOLECULAR FORMULA
    C54H82BrN17O21S3
    CROSS REFERENCES
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    canSAR566194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1479.42
    AlogP -11.01
    HBond donors 25
    HBond acceptors 38
    Atoms 178
    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 canSAR566194.