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canSAR1093306
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cc(Cl)ccn2)nc2[nH]c(=O)sc12
    InChI
    InChI=1S/C18H22ClN5O2S2/c1-9(2)6-12(8-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-10(3)13-7-11(19)4-5-20-13/h4-5,7,9-10,12,25H,6,8H2,1-3H3,(H2,21,22,23,24,26)/t10-,12+/m0/s1
    MOLECULAR FORMULA
    C18H22ClN5O2S2
    CROSS REFERENCES
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    canSAR1093306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.09
    AlogP 4.10
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    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 canSAR1093306.