2092987 logo
canSAR2092987
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cl.OC[C@H]1O[C@@H](c2ccc3c(c2)[C@H](c2ccc(Cl)cc2)NCC3)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C21H24ClNO5.ClH/c22-14-5-3-12(4-6-14)17-15-9-13(2-1-11(15)7-8-23-17)21-20(27)19(26)18(25)16(10-24)28-21;/h1-6,9,16-21,23-27H,7-8,10H2;1H/t16-,17+,18-,19+,20-,21+;/m1./s1
    MOLECULAR FORMULA
    C21H25Cl2NO5
    CROSS REFERENCES
    2092987 logo

    canSAR2092987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.11
    AlogP 1.51
    HBond donors 5
    HBond acceptors 6
    Atoms 54
    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 canSAR2092987.