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canSAR1129119
FEATURES
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NAMES
    SMILES
    CN1C(=O)[C@@H](N)CSSC(C)(C)[C@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN=C(N)N
    InChI
    InChI=1S/C21H37N9O7S2/c1-21(2)15(16(23)34)29-17(35)11(7-14(32)33)28-13(31)8-27-18(36)12(5-4-6-26-20(24)25)30(3)19(37)10(22)9-38-39-21/h10-12,15H,4-9,22H2,1-3H3,(H2,23,34)(H,27,36)(H,28,31)(H,29,35)(H,32,33)(H4,24,25,26)/t10-,11-,12-,15-/m0/s1
    MOLECULAR FORMULA
    C21H37N9O7S2
    CROSS REFERENCES
    1129119 logo

    canSAR1129119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.23
    AlogP -3.59
    HBond donors 12
    HBond acceptors 16
    Atoms 76
    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 canSAR1129119.