1864112 logo
canSAR1864112
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(CN(C[C@H]2CC[C@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
    InChI
    InChI=1S/C30H37ClN2O5/c1-20-17-23(5-12-27(20)38-16-15-33-28(34)13-14-29(33)35)19-32(21(2)24-8-10-26(31)11-9-24)18-22-3-6-25(7-4-22)30(36)37/h5,8-12,17,21-22,25H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t21-,22-,25-/m1/s1
    MOLECULAR FORMULA
    C30H37ClN2O5
    CROSS REFERENCES
    1864112 logo

    canSAR1864112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.24
    AlogP 5.63
    HBond donors 1
    HBond acceptors 7
    Atoms 75
    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 canSAR1864112.