canSAR1832891
FEATURES
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NAMES
    SMILES
    Cl.Cl.S=C(NCCCNCCCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C45H62N6S2.2ClH/c52-44(50-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)48-34-18-32-46-30-16-2-1-3-17-31-47-33-19-35-49-45(53)51-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41;;/h4-15,20-27,42-43,46-47H,1-3,16-19,28-37H2,(H2,48,50,52)(H2,49,51,53);2*1H
    MOLECULAR FORMULA
    C45H64Cl2N6S2
    CROSS REFERENCES
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    canSAR1832891
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight822.40
    AlogP9.11
    HBond donors6
    HBond acceptors6
    Atoms119
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1832891.