778487 logo
canSAR778487
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O
    InChI
    InChI=1S/C36H56N8O6S/c1-5-21(3)31-35(49)42-28(18-29(38)45)33(47)40-24(11-9-15-37)20-51-16-10-14-30(46)41-27(17-23-19-39-26-13-8-7-12-25(23)26)34(48)43-32(22(4)6-2)36(50)44-31/h7-8,12-13,19,21-22,24,27-28,31-32,39H,5-6,9-11,14-18,20,37H2,1-4H3,(H2,38,45)(H,40,47)(H,41,46)(H,42,49)(H,43,48)(H,44,50)/t21-,22+,24+,27-,28+,31+,32+/m1/s1
    MOLECULAR FORMULA
    C36H56N8O6S
    CROSS REFERENCES
    778487 logo

    canSAR778487

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 728.40
    AlogP 1.37
    HBond donors 10
    HBond acceptors 14
    Atoms 107
    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 canSAR778487.