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canSAR344126
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)C/C=C/CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
    InChI
    InChI=1S/C35H40N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-18,25,27,31H,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/b12-11+/t27-,31+/m1/s1
    MOLECULAR FORMULA
    C35H40N3O6P
    CROSS REFERENCES
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    canSAR344126

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 629.27
    AlogP 5.53
    HBond donors 3
    HBond acceptors 9
    Atoms 85
    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 canSAR344126.