837534 logo
canSAR837534
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1
    InChI
    InChI=1S/C33H43ClN4O/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1
    MOLECULAR FORMULA
    C33H43ClN4O
    CROSS REFERENCES
    837534 logo

    canSAR837534

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.31
    AlogP 7.16
    HBond donors 0
    HBond acceptors 5
    Atoms 82
    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 canSAR837534.