1206222 logo
canSAR1206222
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C36H63N9O13/c1-2-3-4-5-6-7-8-9-13-22(46)43-20(12-10-15-42-35(38)39)31(52)41-17-11-16-40-24(33(53)54)29(58-34-28(51)25(48)21(19-37)56-34)30-26(49)27(50)32(57-30)45-18-14-23(47)44-36(45)55/h14,18,20-21,24-30,32,34,40,48-51H,2-13,15-17,19,37H2,1H3,(H,41,52)(H,43,46)(H,53,54)(H4,38,39,42)(H,44,47,55)/t20-,21+,24-,25+,26-,27+,28+,29-,30-,32+,34-/m0/s1
    MOLECULAR FORMULA
    C36H63N9O13
    CROSS REFERENCES
    1206222 logo

    canSAR1206222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 829.45
    AlogP -3.23
    HBond donors 15
    HBond acceptors 22
    Atoms 121
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1206222.