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canSAR644816
FEATURES
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NAMES
    SMILES
    C[N+]1(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1.[I-]
    InChI
    InChI=1S/C39H41N7O3S.HI/c1-46(24-8-7-21-45-33-11-5-6-12-35(33)50-36-28-32(42-43-40)17-18-34(36)45)25-22-44(23-26-46)38(48)19-20-41-37(47)27-29-13-15-31(16-14-29)39(49)30-9-3-2-4-10-30;/h2-6,9-18,28H,7-8,19-27H2,1H3;1H
    MOLECULAR FORMULA
    C39H42IN7O3S
    CROSS REFERENCES
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    canSAR644816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 815.21
    AlogP 4.28
    HBond donors 1
    HBond acceptors 10
    Atoms 93
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR644816.