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canSAR502570
FEATURES
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NAMES
    SMILES
    CCOc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(C(=O)N3CCCC3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)C)NC(=O)C(Cc3ccccc3)NC2=O)cc1
    InChI
    InChI=1S/C53H77N13O11S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(71)62-37(25-32-13-7-5-8-14-32)48(73)65-44(31(2)3)50(75)63-38(27-41(54)67)47(72)64-39(30-78-79-53(28-43(69)60-36)21-9-6-10-22-53)51(76)66-24-12-16-40(66)49(74)61-35(15-11-23-58-52(56)57)45(70)59-29-42(55)68/h5,7-8,13-14,17-20,31,35-40,44H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,67)(H2,55,68)(H,59,70)(H,60,69)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H4,56,57,58)/t35-,36?,37?,38?,39?,40?,44?/m1/s1
    MOLECULAR FORMULA
    C53H77N13O11S2
    CROSS REFERENCES
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    canSAR502570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1135.53
    AlogP -0.56
    HBond donors 15
    HBond acceptors 24
    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 canSAR502570.