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canSAR746950
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NAMES
    SMILES
    CCOC1(OCC)/C2=C\C3=N/C(=C\C4=N/C(=C\c5[nH]c(c(C)c5CC)/C=C\1c1ccccc12)C(CC)=C4CC)C(CC)=C3C.Cl
    InChI
    InChI=1S/C39H45N3O2.ClH/c1-9-25-23(7)33-19-31-29-17-15-16-18-30(29)32(39(31,43-13-5)44-14-6)20-34-24(8)26(10-2)36(41-34)22-38-28(12-4)27(11-3)37(42-38)21-35(25)40-33;/h15-22,40H,9-14H2,1-8H3;1H/b31-19-,32-20-,33-19-,34-20-,35-21-,36-22-,37-21-,38-22-;
    MOLECULAR FORMULA
    C39H46ClN3O2
    CROSS REFERENCES
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    canSAR746950

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 623.33
    AlogP 10.00
    HBond donors 1
    HBond acceptors 5
    Atoms 91
    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 canSAR746950.