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canSAR648025
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NAMES
    SMILES
    CCNC1(C(N)=O)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Cn2cncn2)CC1
    InChI
    InChI=1S/C27H27Cl3N8O2/c1-2-33-27(26(31)40)9-11-36(12-10-27)25(39)23-20(14-37-16-32-15-34-37)24(17-3-5-18(28)6-4-17)38(35-23)22-8-7-19(29)13-21(22)30/h3-8,13,15-16,33H,2,9-12,14H2,1H3,(H2,31,40)
    MOLECULAR FORMULA
    C27H27Cl3N8O2
    CROSS REFERENCES
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    canSAR648025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.13
    AlogP 4.21
    HBond donors 3
    HBond acceptors 10
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR648025.