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canSAR1018631
FEATURES
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NAMES
    SMILES
    COc1cc(NC(C)CCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CCCN)C(=O)O)c2ncccc2c1
    InChI
    InChI=1S/C25H38N6O5/c1-16(30-21-15-18(36-2)14-17-7-5-13-29-23(17)21)6-4-12-28-22(32)10-9-20(25(34)35)31-24(33)19(27)8-3-11-26/h5,7,13-16,19-20,30H,3-4,6,8-12,26-27H2,1-2H3,(H,28,32)(H,31,33)(H,34,35)/t16?,19-,20-/m0/s1
    MOLECULAR FORMULA
    C25H38N6O5
    CROSS REFERENCES
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    canSAR1018631

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.29
    AlogP 1.36
    HBond donors 8
    HBond acceptors 11
    Atoms 74
    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 canSAR1018631.