canSAR1846402
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H](CN1CCCC1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S
    InChI
    InChI=1S/C38H55N5OS2/c1-28(2)20-34(43-27-35(22-29-10-5-3-6-11-29)42(38(43)46)24-31-12-7-4-8-13-31)25-40-19-9-14-32(40)26-41-33(23-39-37(41)45)21-30-15-17-36(44)18-16-30/h3,5-6,10-11,15-18,28,31-35,44H,4,7-9,12-14,19-27H2,1-2H3,(H,39,45)/t32?,33-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C38H55N5OS2
    CROSS REFERENCES
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    canSAR1846402
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight661.38
    AlogP6.47
    HBond donors2
    HBond acceptors6
    Atoms101
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846402.