canSAR2257531
FEATURES
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NAMES
    SMILES
    Cc1cccc2[nH]c(-c3cc4c(s3)-c3ccccc3N(C(=O)c3ccc(NC(=O)c5cccnc5N5CC6(CCOCC6)C5)cc3)CC4)nc12
    InChI
    InChI=1S/C40H36N6O3S/c1-25-6-4-9-31-34(25)44-36(43-31)33-22-27-15-19-46(32-10-3-2-7-29(32)35(27)50-33)39(48)26-11-13-28(14-12-26)42-38(47)30-8-5-18-41-37(30)45-23-40(24-45)16-20-49-21-17-40/h2-14,18,22H,15-17,19-21,23-24H2,1H3,(H,42,47)(H,43,44)
    MOLECULAR FORMULA
    C40H36N6O3S
    CROSS REFERENCES
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    canSAR2257531
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight680.26
    AlogP7.73
    HBond donors2
    HBond acceptors9
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2257531.