canSAR70921
FEATURES
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NAMES
    SMILES
    Cc1nnc2n1-c1sc(CCc3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2
    InChI
    InChI=1S/C29H29ClN4S/c1-19-32-33-27-18-31-28(24-9-5-6-10-26(24)30)25-17-23(35-29(25)34(19)27)16-13-20-11-14-22(15-12-20)21-7-3-2-4-8-21/h5-6,9-12,14-15,17,21H,2-4,7-8,13,16,18H2,1H3
    MOLECULAR FORMULA
    C29H29ClN4S
    CROSS REFERENCES
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    canSAR70921
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight500.18
    AlogP7.47
    HBond donors0
    HBond acceptors4
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR70921.