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canSAR176634
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)=O)c1
    InChI
    InChI=1S/C33H46NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-38-30-19-20-33(32(23-30)28(3)35)40-41(36,37)39-31-18-16-17-29(22-31)25-34-24-27(2)42-26-34/h16-20,22-24,26H,4-15,21,25H2,1-3H3
    MOLECULAR FORMULA
    C33H46NO6PS
    CROSS REFERENCES
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    canSAR176634

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.28
    AlogP 8.60
    HBond donors 0
    HBond acceptors 7
    Atoms 88
    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 canSAR176634.