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canSAR196770
FEATURES
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NAMES
    SMILES
    CN1C2CCC1[C@@H](CN(CCS)CCNCCS)[C@@H](c1ccc(Cl)cc1)C2
    InChI
    InChI=1S/C21H34ClN3S2/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16/h2-5,18-21,23,26-27H,6-15H2,1H3/t18?,19-,20+,21?/m1/s1
    MOLECULAR FORMULA
    C21H34ClN3S2
    CROSS REFERENCES
    196770 logo

    canSAR196770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.19
    AlogP 3.66
    HBond donors 1
    HBond acceptors 3
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR196770.