canSAR1632302
FEATURES
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NAMES
    SMILES
    CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NS(=O)c3c(-c4ccccc4)noc3C)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
    InChI
    InChI=1S/C40H46N6O5S/c1-5-7-20-44(21-8-6-2)40(49)35-22-27(3)46(41-35)36-19-18-32(43-52(50)38-28(4)51-42-37(38)29-14-10-9-11-15-29)24-34(36)39(48)45-25-31-17-13-12-16-30(31)23-33(45)26-47/h9-19,22,24,33,43,47H,5-8,20-21,23,25-26H2,1-4H3/t33-,52?/m0/s1
    MOLECULAR FORMULA
    C40H46N6O5S
    CROSS REFERENCES
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    canSAR1632302
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight722.33
    AlogP6.88
    HBond donors2
    HBond acceptors11
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632302.