canSAR945735
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21.[I-]
    InChI
    InChI=1S/C41H47N4S.HI/c1-3-4-5-6-7-8-9-10-11-20-30-44-38-32-33(41-42-36-25-18-19-26-39(36)46-41)27-28-37(38)45(35-23-16-13-17-24-35)40(44)29-31-43(2)34-21-14-12-15-22-34;/h12-19,21-29,31-32H,3-11,20,30H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C41H47IN4S
    CROSS REFERENCES
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    canSAR945735
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight754.26
    AlogP8.23
    HBond donors0
    HBond acceptors4
    Atoms94
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR945735.