1690612 logo
canSAR1690612
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(CN(C[C@H]2CC[C@H](C(=O)O)CC2)C2CCc3cc(Cl)c(F)cc32)ccc1OCCN1C(=O)CCC1=O
    InChI
    InChI=1S/C31H36ClFN2O6/c1-40-28-14-20(4-9-27(28)41-13-12-35-29(36)10-11-30(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)26-8-7-22-15-24(32)25(33)16-23(22)26/h4,9,14-16,19,21,26H,2-3,5-8,10-13,17-18H2,1H3,(H,38,39)/t19-,21-,26?
    MOLECULAR FORMULA
    C31H36ClFN2O6
    CROSS REFERENCES
    1690612 logo

    canSAR1690612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.22
    AlogP 5.40
    HBond donors 1
    HBond acceptors 8
    Atoms 77
    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 canSAR1690612.