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canSAR984696
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC[C@@H](NC[C@@H](N)CS)[C@H](C)CC)C(=O)N[C@@H](CCO)C(=O)O
    InChI
    InChI=1S/C19H40N4O4S/c1-5-12(3)16(21-9-14(20)11-28)10-22-17(13(4)6-2)18(25)23-15(7-8-24)19(26)27/h12-17,21-22,24,28H,5-11,20H2,1-4H3,(H,23,25)(H,26,27)/t12-,13+,14-,15+,16-,17+/m1/s1
    MOLECULAR FORMULA
    C19H40N4O4S
    CROSS REFERENCES
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    canSAR984696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.28
    AlogP 0.20
    HBond donors 7
    HBond acceptors 8
    Atoms 68
    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 canSAR984696.