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canSAR672451
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NAMES
    SMILES
    O=P(NCCCl)(NCCCl)Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
    InChI
    InChI=1S/C48H39Cl2N6O2P/c49-28-30-51-59(57,52-31-29-50)58-36-18-16-35(17-19-36)48-43-26-24-41(55-43)46(33-12-6-2-7-13-33)39-22-20-37(53-39)45(32-10-4-1-5-11-32)38-21-23-40(54-38)47(34-14-8-3-9-15-34)42-25-27-44(48)56-42/h1-27,53,56H,28-31H2,(H2,51,52,57)/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
    MOLECULAR FORMULA
    C48H39Cl2N6O2P
    CROSS REFERENCES
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    canSAR672451

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 832.22
    AlogP 12.47
    HBond donors 4
    HBond acceptors 8
    Atoms 98
    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 canSAR672451.