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canSAR1015715
FEATURES
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NAMES
    SMILES
    CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(NC(=O)OCCCC(N)=O)cs3)nc2-c2csc(n2)-c2csc(n2)[C@H]([C@@H](O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C
    InChI
    InChI=1S/C52H52N14O10S6/c1-23(2)37-51-66-40(32(82-51)18-75-5)44(72)55-17-36(69)63-41(42(70)25-10-7-6-8-11-25)50-60-31(21-79-50)48-58-29(19-78-48)39-26(13-14-27(56-39)47-61-34(22-80-47)62-52(74)76-15-9-12-33(53)67)46-59-30(20-77-46)43(71)57-28(16-35(68)54-4)49-65-38(24(3)81-49)45(73)64-37/h6-8,10-11,13-14,19-23,28,37,41-42,70H,9,12,15-18H2,1-5H3,(H2,53,67)(H,54,68)(H,55,72)(H,57,71)(H,62,74)(H,63,69)(H,64,73)/t28-,37-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C52H52N14O10S6
    CROSS REFERENCES
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    canSAR1015715

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1224.23
    AlogP 7.13
    HBond donors 9
    HBond acceptors 24
    Atoms 134
    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 canSAR1015715.