canSAR1632153
FEATURES
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NAMES
    SMILES
    CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)C(CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1
    InChI
    InChI=1S/C40H53N5O5/c1-3-40-32(38(49)44-12-10-43(11-13-44)36(47)27-4-5-27)17-28(18-34(46)41-23-39-20-24-14-25(21-39)16-26(15-24)22-39)37(48)45(40)9-8-30-31-19-29(50-2)6-7-33(31)42-35(30)40/h6-7,19,24-28,32,42H,3-5,8-18,20-23H2,1-2H3,(H,41,46)/t24?,25?,26?,28?,32-,39?,40+/m1/s1
    MOLECULAR FORMULA
    C40H53N5O5
    CROSS REFERENCES
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    canSAR1632153
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight683.40
    AlogP4.61
    HBond donors2
    HBond acceptors10
    Atoms103
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632153.