829060 logo
canSAR829060
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@]2(C/C=C(/C)CCC=C(C)C)c3ccccc3N[C@H]12
    InChI
    InChI=1S/C41H55N5O7/c1-6-27(5)35(42)37(50)44-33(23-28-15-8-7-9-16-28)38(51)46-24-30(36(49)43-32(39(52)53)19-20-34(47)48)41(22-21-26(4)14-12-13-25(2)3)29-17-10-11-18-31(29)45-40(41)46/h7-11,13,15-18,21,27,30,32-33,35,40,45H,6,12,14,19-20,22-24,42H2,1-5H3,(H,43,49)(H,44,50)(H,47,48)(H,52,53)/b26-21-/t27-,30+,32-,33-,35-,40+,41-/m0/s1
    MOLECULAR FORMULA
    C41H55N5O7
    CROSS REFERENCES
    829060 logo

    canSAR829060

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 729.41
    AlogP 4.75
    HBond donors 7
    HBond acceptors 12
    Atoms 108
    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 canSAR829060.