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canSAR552697
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NAMES
    SMILES
    CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNC(C)(C)CCCC(C)C)cc13)N(C)S(=O)(=O)CC2.O=CO
    InChI
    InChI=1S/C33H48N4O4S.CH2O2/c1-7-25-22-37-16-17-42(40,41)36(6)29-20-26(19-27(25)31(29)37)32(39)35-28(18-24-13-9-8-10-14-24)30(38)21-34-33(4,5)15-11-12-23(2)3;2-1-3/h8-10,13-14,19-20,22-23,28,30,34,38H,7,11-12,15-18,21H2,1-6H3,(H,35,39);1H,(H,2,3)/t28-,30+;/m0./s1
    MOLECULAR FORMULA
    C34H50N4O6S
    CROSS REFERENCES
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    canSAR552697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.35
    AlogP 4.58
    HBond donors 4
    HBond acceptors 10
    Atoms 95
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR552697.