canSAR735559
FEATURES
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NAMES
    SMILES
    CSCC[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)C(=O)O
    InChI
    InChI=1S/C32H44N10O9S/c1-52-9-8-23(29(47)37-14-27(45)39-24(11-18-13-35-16-38-18)31(49)42-25(15-43)32(50)51)41-30(48)22(6-7-26(34)44)40-28(46)20(33)10-17-12-36-21-5-3-2-4-19(17)21/h2-5,12-13,16,20,22-25,36,43H,6-11,14-15,33H2,1H3,(H2,34,44)(H,35,38)(H,37,47)(H,39,45)(H,40,46)(H,41,48)(H,42,49)(H,50,51)/t20-,22-,23-,24-,25-/m1/s1
    MOLECULAR FORMULA
    C32H44N10O9S
    CROSS REFERENCES
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    canSAR735559
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight744.30
    AlogP-2.85
    HBond donors13
    HBond acceptors19
    Atoms96
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR735559.