canSAR2096450
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
    InChI
    InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31?,35?/m1/s1
    MOLECULAR FORMULA
    C35H38Cl2N8O4
    CROSS REFERENCES
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    canSAR2096450
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight704.24
    AlogP5.58
    HBond donors0
    HBond acceptors12
    Atoms87
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096450.