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canSAR1525768
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NAMES
    SMILES
    Cl.N=C(Nc1ccc2c(c1)CCCN2CCCN1CCCC1)c1cccs1
    InChI
    InChI=1S/C21H28N4S.ClH/c22-21(20-7-4-15-26-20)23-18-8-9-19-17(16-18)6-3-13-25(19)14-5-12-24-10-1-2-11-24;/h4,7-9,15-16H,1-3,5-6,10-14H2,(H2,22,23);1H
    MOLECULAR FORMULA
    C21H29ClN4S
    CROSS REFERENCES
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    canSAR1525768

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.18
    AlogP 4.85
    HBond donors 2
    HBond acceptors 4
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1525768.