canSAR1645886
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)NCCCCCC(=O)N[C@@H](C(N)=O)C(=O)COC(=O)c1c(C)cccc1C
    InChI
    InChI=1S/C46H63IN8O11S/c1-26-12-11-13-27(2)39(26)45(64)66-24-35(58)41(42(48)61)54-38(60)17-5-4-9-21-50-43(62)32(23-29-18-19-34(57)30(47)22-29)52-44(63)31(51-28(3)56)14-8-10-20-49-37(59)16-7-6-15-36-40-33(25-67-36)53-46(65)55-40/h11-13,18-19,22,31-33,36,40-41,57H,4-10,14-17,20-21,23-25H2,1-3H3,(H2,48,61)(H,49,59)(H,50,62)(H,51,56)(H,52,63)(H,54,60)(H2,53,55,65)/t31-,32-,33+,36?,40+,41+/m0/s1
    MOLECULAR FORMULA
    C46H63IN8O11S
    CROSS REFERENCES
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    canSAR1645886
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1062.34
    AlogP2.23
    HBond donors10
    HBond acceptors19
    Atoms130
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1645886.