673664 logo
canSAR673664
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC12CCC3c4ccc(OCCCOC[C@H]5OC(n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)c([N+](=O)[O-])c4CCC3C1CCC2=O
    InChI
    InChI=1S/C31H38N6O8/c1-31-10-9-17-16-5-7-21(25(37(41)42)19(16)4-3-18(17)20(31)6-8-23(31)38)44-12-2-11-43-13-22-26(39)27(40)30(45-22)36-15-35-24-28(32)33-14-34-29(24)36/h5,7,14-15,17-18,20,22,26-27,30,39-40H,2-4,6,8-13H2,1H3,(H2,32,33,34)/t17?,18?,20?,22-,26-,27-,30?,31?/m1/s1
    MOLECULAR FORMULA
    C31H38N6O8
    CROSS REFERENCES
    673664 logo

    canSAR673664

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.28
    AlogP 2.85
    HBond donors 4
    HBond acceptors 14
    Atoms 83
    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 canSAR673664.