832624 logo
canSAR832624
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1=CC2=C(C(C)C)C(O)C(=O)/C(=C\NCCCN3CCOCC3)C2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C2C(C)C
    InChI
    InChI=1S/C44H60N4O8/c1-25(2)33-29-21-27(5)35(41(51)37(29)31(39(49)43(33)53)23-45-9-7-11-47-13-17-55-18-14-47)36-28(6)22-30-34(26(3)4)44(54)40(50)32(38(30)42(36)52)24-46-10-8-12-48-15-19-56-20-16-48/h21-26,37,43,45-46,51-54H,7-20H2,1-6H3/b31-23-,32-24-
    MOLECULAR FORMULA
    C44H60N4O8
    CROSS REFERENCES
    832624 logo

    canSAR832624

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 772.44
    AlogP 4.80
    HBond donors 6
    HBond acceptors 12
    Atoms 116
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832624.