778800 logo
canSAR778800
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)C2Cc3ccccc3CN2)CSSC1(C)C)C(N)=O
    InChI
    InChI=1S/C46H69N11O11S2/c1-24(58)35(38(49)61)55-45(68)37-46(3,4)70-69-23-34(54-41(64)32-21-27-10-5-6-11-28(27)22-50-32)43(66)53-33(20-26-14-16-29(60)17-15-26)42(65)52-31(13-9-19-48)39(62)51-30(12-7-8-18-47)40(63)56-36(25(2)59)44(67)57-37/h5-6,10-11,14-17,24-25,30-37,50,58-60H,7-9,12-13,18-23,47-48H2,1-4H3,(H2,49,61)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,68)(H,56,63)(H,57,67)/t24-,25-,30+,31+,32?,33+,34+,35+,36+,37-/m1/s1
    MOLECULAR FORMULA
    C46H69N11O11S2
    CROSS REFERENCES
    778800 logo

    canSAR778800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1015.46
    AlogP -2.67
    HBond donors 17
    HBond acceptors 22
    Atoms 139
    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 canSAR778800.