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canSAR1637825
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NAMES
    SMILES
    CC(=O)OCCN(CCn1nc2c3ccccc3sc3c(N)ccc1c32)C(C)=O.Cl
    InChI
    InChI=1S/C21H22N4O3S.ClH/c1-13(26)24(11-12-28-14(2)27)9-10-25-17-8-7-16(22)21-19(17)20(23-25)15-5-3-4-6-18(15)29-21;/h3-8H,9-12,22H2,1-2H3;1H
    MOLECULAR FORMULA
    C21H23ClN4O3S
    CROSS REFERENCES
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    canSAR1637825

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.12
    AlogP 3.82
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    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 canSAR1637825.