1123809 logo
canSAR1123809
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12
    InChI
    InChI=1S/C51H69N11O9/c1-4-54-49(70)43-17-11-25-62(43)50(71)38(16-10-24-55-51(52)53)58-45(66)39(26-31(2)3)59-46(67)40(27-32-12-6-5-7-13-32)60-47(68)41(28-33-18-21-35(64)22-19-33)61-48(69)42(30-63)57-44(65)23-20-34-29-56-37-15-9-8-14-36(34)37/h5-9,12-15,18-19,21-22,29,31,38-43,56,63-64H,4,10-11,16-17,20,23-28,30H2,1-3H3,(H,54,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H4,52,53,55)/t38-,39-,40+,41-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C51H69N11O9
    CROSS REFERENCES
    1123809 logo

    canSAR1123809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 979.53
    AlogP 0.93
    HBond donors 13
    HBond acceptors 20
    Atoms 140
    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 canSAR1123809.