canSAR823623
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](C)O)CSC(=O)[C@@H](CCSC)NC1=O
    InChI
    InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30-,31-,32-,33-,34-/m0/s1
    MOLECULAR FORMULA
    C42H60N8O11S2
    CROSS REFERENCES
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    canSAR823623
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight916.38
    AlogP-1.64
    HBond donors12
    HBond acceptors19
    Atoms123
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823623.