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canSAR1861647
FEATURES
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NAMES
    SMILES
    C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC=C)CC(=O)N[C@H](CO)Cc1ccccc1
    InChI
    InChI=1S/C40H46FN3O5/c1-3-5-14-31(21-29-17-19-33(41)20-18-29)40(48)49-27-35(23-32-25-42-37-16-10-9-15-36(32)37)44-39(47)30(11-4-2)24-38(46)43-34(26-45)22-28-12-7-6-8-13-28/h3-4,6-10,12-13,15-20,25,30-31,34-35,42,45H,1-2,5,11,14,21-24,26-27H2,(H,43,46)(H,44,47)/t30-,31+,34-,35-/m0/s1
    MOLECULAR FORMULA
    C40H46FN3O5
    CROSS REFERENCES
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    canSAR1861647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 667.34
    AlogP 6.00
    HBond donors 4
    HBond acceptors 8
    Atoms 95
    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 canSAR1861647.