649934 logo
canSAR649934
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C21H43N9O4/c1-4-12(2)16(20(34)29-15(17(24)31)9-5-6-10-22)30-18(32)13(3)28-19(33)14(23)8-7-11-27-21(25)26/h12-16H,4-11,22-23H2,1-3H3,(H2,24,31)(H,28,33)(H,29,34)(H,30,32)(H4,25,26,27)/t12-,13-,14-,15-,16-/m0/s1
    MOLECULAR FORMULA
    C21H43N9O4
    CROSS REFERENCES
    649934 logo

    canSAR649934

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.34
    AlogP -2.29
    HBond donors 13
    HBond acceptors 13
    Atoms 77
    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 canSAR649934.