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canSAR564388
FEATURES
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NAMES
    SMILES
    CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)[O-])C(C)C)C(=O)NCc1ccccn1.[Na+]
    InChI
    InChI=1S/C51H79N9O10S.Na/c1-9-36(6)47(50(66)54-32-38-21-17-18-24-53-38)58-48(64)40(35(4)5)30-44(61)41(27-34(2)3)57-49(65)43(29-39-31-52-33-55-39)60(8)51(67)42(28-37-19-13-12-14-20-37)56-45(62)22-15-10-11-16-23-46(63)59(7)25-26-71(68,69)70;/h12-14,17-21,24,31,33-36,40-44,47,61H,9-11,15-16,22-23,25-30,32H2,1-8H3,(H,52,55)(H,54,66)(H,56,62)(H,57,65)(H,58,64)(H,68,69,70);/q;+1/p-1
    MOLECULAR FORMULA
    C51H78N9NaO10S
    CROSS REFERENCES
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    canSAR564388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1031.55
    AlogP 0.65
    HBond donors 6
    HBond acceptors 19
    Atoms 150
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564388.