778661 logo
canSAR778661
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C55H69N9O8/c1-36(65)49-55(72)63-44(31-37-19-7-4-8-20-37)50(67)57-30-18-3-2-13-28-48(66)59-45(32-38-21-9-5-10-22-38)52(69)61-46(33-39-23-11-6-12-24-39)53(70)62-47(34-40-35-58-42-26-15-14-25-41(40)42)54(71)60-43(51(68)64-49)27-16-17-29-56/h4-12,14-15,19-26,35-36,43-47,49,58,65H,2-3,13,16-18,27-34,56H2,1H3,(H,57,67)(H,59,66)(H,60,71)(H,61,69)(H,62,70)(H,63,72)(H,64,68)/t36-,43+,44+,45-,46+,47+,49-/m0/s1
    MOLECULAR FORMULA
    C55H69N9O8
    CROSS REFERENCES
    778661 logo

    canSAR778661

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 983.53
    AlogP 2.94
    HBond donors 11
    HBond acceptors 17
    Atoms 141
    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 canSAR778661.