1649395 logo
canSAR1649395
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O
    InChI
    InChI=1S/C44H63N5O5/c1-30(2)9-8-10-31(3)18-21-45-39(50)29-34-28-37(43(53)48-23-25-54-26-24-48)44(20-17-32-11-6-7-12-32)41-36(19-22-49(44)42(34)52)35-15-13-33(27-38(35)46-41)14-16-40(51)47(4)5/h9,13,15,18,27,32,34,37,46H,6-8,10-12,14,16-17,19-26,28-29H2,1-5H3,(H,45,50)/b31-18+/t34-,37-,44+/m1/s1
    MOLECULAR FORMULA
    C44H63N5O5
    CROSS REFERENCES
    1649395 logo

    canSAR1649395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 741.48
    AlogP 6.43
    HBond donors 2
    HBond acceptors 10
    Atoms 117
    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 canSAR1649395.