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canSAR660011
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](Cn3cc(Cn4nnc5c4CCCC5)nn3)C(=O)O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C30H46N6O13/c1-14-22(38)24(40)25(41)29(45-14)47-18-8-4-5-9-19(18)48-30-26(42)27(23(39)21(13-37)49-30)46-20(28(43)44)12-35-10-15(31-33-35)11-36-17-7-3-2-6-16(17)32-34-36/h10,14,18-27,29-30,37-42H,2-9,11-13H2,1H3,(H,43,44)/t14-,18+,19+,20-,21+,22+,23-,24+,25-,26+,27-,29-,30+/m0/s1
    MOLECULAR FORMULA
    C30H46N6O13
    CROSS REFERENCES
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    canSAR660011

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 698.31
    AlogP -2.75
    HBond donors 7
    HBond acceptors 19
    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 canSAR660011.