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canSAR77763
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC(C)(C)CC(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1)C(N)=O
    InChI
    InChI=1S/C52H76N14O12S2/c1-28(2)42(43(55)71)64-45(73)32(13-9-21-58-51(56)57)60-48(76)37-14-10-22-66(37)50(78)36-27-79-80-52(3,4)26-41(70)65(5)38(24-30-15-17-31(67)18-16-30)49(77)62-34(23-29-11-7-6-8-12-29)46(74)59-33(19-20-39(53)68)44(72)61-35(25-40(54)69)47(75)63-36/h6-8,11-12,15-18,28,32-38,42,67H,9-10,13-14,19-27H2,1-5H3,(H2,53,68)(H2,54,69)(H2,55,71)(H,59,74)(H,60,76)(H,61,72)(H,62,77)(H,63,75)(H,64,73)(H4,56,57,58)/t32-,33-,34+,35+,36+,37-,38-,42-/m0/s1
    MOLECULAR FORMULA
    C52H76N14O12S2
    CROSS REFERENCES
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    canSAR77763

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1152.52
    AlogP -2.20
    HBond donors 17
    HBond acceptors 26
    Atoms 156
    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 canSAR77763.