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canSAR468458
FEATURES
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NAMES
    SMILES
    COC(=O)/C=C/C(=O)NCC(N)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)O
    InChI
    InChI=1S/C28H48N6O9S4/c1-43-23(36)7-6-22(35)30-16-17(29)24(37)31-18(8-12-44-2)25(38)32-19(9-13-45-3)26(39)33-20(10-14-46-4)27(40)34-21(28(41)42)11-15-47-5/h6-7,17-21H,8-16,29H2,1-5H3,(H,30,35)(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,41,42)/b7-6+
    MOLECULAR FORMULA
    C28H48N6O9S4
    CROSS REFERENCES
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    canSAR468458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 740.24
    AlogP -0.80
    HBond donors 8
    HBond acceptors 15
    Atoms 95
    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 canSAR468458.