canSAR2064670
FEATURES
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NAMES
    SMILES
    COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(Br)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O
    InChI
    InChI=1S/C49H58Br2ClN13O11S/c1-75-25-24-62(28-42(68)61(23-5-3-21-54)27-41(67)60(26-40(55)66)22-4-2-20-53)43(69)29-64(59-48(73)56-37-16-12-35(51)13-17-37)44(70)30-63(57-46(72)33-8-14-36(52)15-9-33)45(71)31-65-49(74)76-47(58-65)39-19-18-38(77-39)32-6-10-34(50)11-7-32/h6-19H,2-5,20-31,53-54H2,1H3,(H2,55,66)(H,57,72)(H2,56,59,73)
    MOLECULAR FORMULA
    C49H58Br2ClN13O11S
    CROSS REFERENCES
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    canSAR2064670
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1229.22
    AlogP3.24
    HBond donors9
    HBond acceptors24
    Atoms135
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064670.