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canSAR836705
FEATURES
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NAMES
    SMILES
    CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
    InChI
    InChI=1S/C55H66N10O9S2/c1-32(2)58-29-37-21-19-36(20-22-37)27-43-50(69)60-42(25-34-13-7-5-8-14-34)51(70)62-45(53(72)63-46(33(3)66)47(57)67)31-76-75-30-41(56)49(68)59-44(26-35-15-9-6-10-16-35)52(71)64-48(54(73)61-43)65(4)55(74)40-24-23-38-17-11-12-18-39(38)28-40/h5-24,28,32-33,41-46,48,58,66H,25-27,29-31,56H2,1-4H3,(H2,57,67)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t33-,41+,42+,43+,44+,45+,46+,48+/m1/s1
    MOLECULAR FORMULA
    C55H66N10O9S2
    CROSS REFERENCES
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    canSAR836705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1074.45
    AlogP 1.59
    HBond donors 12
    HBond acceptors 19
    Atoms 142
    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 canSAR836705.