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canSAR1127870
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@@H]2N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)CSSC3(CCC(C)CC3)CC2=O)cc1
    InChI
    InChI=1S/C52H75N13O11S2/c1-30-18-20-52(21-19-30)27-41(66)36(24-32-12-14-33(76-2)15-13-32)60-37(25-31-8-4-3-5-9-31)47(72)61-35(16-17-42(53)67)46(71)63-38(26-43(54)68)48(73)64-39(29-77-78-52)50(75)65-23-7-11-40(65)49(74)62-34(10-6-22-58-51(56)57)45(70)59-28-44(55)69/h3-5,8-9,12-15,30,34-40,60H,6-7,10-11,16-29H2,1-2H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,70)(H,61,72)(H,62,74)(H,63,71)(H,64,73)(H4,56,57,58)/t30?,34-,35-,36-,37-,38-,39-,40-,52?/m0/s1
    MOLECULAR FORMULA
    C52H75N13O11S2
    CROSS REFERENCES
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    canSAR1127870

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1121.52
    AlogP -1.16
    HBond donors 16
    HBond acceptors 24
    Atoms 153
    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 canSAR1127870.