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canSAR566306
FEATURES
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NAMES
    SMILES
    CCCC(=O)OCC1OC(OC2C(C(=O)[O-])OC(OC3C(NC(C)=O)C(OC4C(C(=O)[O-])OC(C)C(OC(=O)CCC)C4O)OC(COC(=O)CCC)C3OS(=O)(=O)[O-])C(OC(=O)CCC)C2OC(=O)CCC)C(NC(C)=O)C(OC)C1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C50H78N2O33S2.4Na/c1-10-15-27(55)72-20-25-36(84-86(65,66)67)38(71-9)32(51-23(7)53)48(75-25)82-41-42(78-30(58)18-13-4)45(79-31(59)19-14-5)50(83-44(41)47(63)64)80-39-33(52-24(8)54)49(76-26(21-73-28(56)16-11-2)37(39)85-87(68,69)70)81-40-34(60)35(77-29(57)17-12-3)22(6)74-43(40)46(61)62;;;;/h22,25-26,32-45,48-50,60H,10-21H2,1-9H3,(H,51,53)(H,52,54)(H,61,62)(H,63,64)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4
    MOLECULAR FORMULA
    C50H74N2Na4O33S2
    CROSS REFERENCES
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    canSAR566306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1386.32
    AlogP -16.48
    HBond donors 3
    HBond acceptors 35
    Atoms 165
    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 canSAR566306.