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canSAR467627
FEATURES
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NAMES
    SMILES
    CN1C(=O)[C@@H](NC(=O)CCN=C(N)N)CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CCCN=C(N)N
    InChI
    InChI=1S/C38H51N11O6S2/c1-49-31(7-4-16-44-37(39)40)35(54)47-28(20-24-8-11-25-5-2-3-6-26(25)19-24)34(53)48-29(33(52)43-17-14-23-9-12-27(50)13-10-23)21-56-57-22-30(36(49)55)46-32(51)15-18-45-38(41)42/h2-3,5-6,8-13,19,28-31,50H,4,7,14-18,20-22H2,1H3,(H,43,52)(H,46,51)(H,47,54)(H,48,53)(H4,39,40,44)(H4,41,42,45)/t28-,29+,30-,31-/m0/s1
    MOLECULAR FORMULA
    C38H51N11O6S2
    CROSS REFERENCES
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    canSAR467627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 821.35
    AlogP -0.16
    HBond donors 13
    HBond acceptors 17
    Atoms 108
    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 canSAR467627.