779701 logo
canSAR779701
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NCC[C@H](O)C(=O)NC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]1N
    InChI
    InChI=1S/C27H54N8O14/c28-2-1-9(36)24(43)35-6-12-22(48-26-14(34)19(41)17(39)11(5-30)45-26)20(42)27(46-12)49-23-15(37)7(31)3-8(32)21(23)47-25-13(33)18(40)16(38)10(4-29)44-25/h7-23,25-27,36-42H,1-6,28-34H2,(H,35,43)/t7-,8+,9+,10-,11+,12-,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23-,25-,26-,27+/m1/s1
    MOLECULAR FORMULA
    C27H54N8O14
    CROSS REFERENCES
    779701 logo

    canSAR779701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 714.38
    AlogP -10.06
    HBond donors 22
    HBond acceptors 22
    Atoms 103
    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 canSAR779701.