canSAR421496
FEATURES
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NAMES
    SMILES
    CCCCCCCC/C=N\O[C@H]1C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)N(C(=O)C2CCCCN2C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCCCNC(=S)Nc2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)[C@@H](C)O)C1
    InChI
    InChI=1S/C78H103N13O23S/c1-4-5-6-7-8-9-12-34-81-114-48-41-59(71(106)85-54(28-31-64(98)99)68(103)84-53(67(79)102)27-30-63(96)97)91(42-48)75(110)58-17-11-14-35-90(58)73(108)43(2)82-72(107)66(44(3)92)87-70(105)57-19-16-37-89(57)74(109)55(29-32-65(100)101)86-69(104)56-18-15-36-88(56)62(95)20-10-13-33-80-77(115)83-45-21-24-49-52(38-45)78(113-76(49)111)50-25-22-46(93)39-60(50)112-61-40-47(94)23-26-51(61)78/h21-26,34,38-40,43-44,48,53-59,66,92-94H,4-20,27-33,35-37,41-42H2,1-3H3,(H2,79,102)(H,82,107)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-34-/t43-,44+,48-,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
    MOLECULAR FORMULA
    C78H103N13O23S
    CROSS REFERENCES
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    canSAR421496
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1621.70
    AlogP3.11
    HBond donors15
    HBond acceptors36
    Atoms218
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR421496.