canSAR73449
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)C(CCCN=C(N)N)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(C)(C)SSC1(C)C)C(=O)O
    InChI
    InChI=1S/C79H119N19O20S2/c1-41(2)35-51(89-64(105)47(81)27-29-60(101)102)66(107)90-52(37-43-23-25-45(99)26-24-43)67(108)87-49(28-30-61(103)104)65(106)91-54(39-59(82)100)68(109)88-50(19-12-13-31-80)73(114)98-34-16-22-58(98)74(115)96(9)56(20-14-32-85-77(83)84)70(111)95-63-75(116)97-33-15-21-57(97)71(112)92-53(38-44-40-86-48-18-11-10-17-46(44)48)69(110)94-62(78(5,6)119-120-79(63,7)8)72(113)93-55(76(117)118)36-42(3)4/h10-11,17-18,23-26,40-42,47,49-58,62-63,86,99H,12-16,19-22,27-39,80-81H2,1-9H3,(H2,82,100)(H,87,108)(H,88,109)(H,89,105)(H,90,107)(H,91,106)(H,92,112)(H,93,113)(H,94,110)(H,95,111)(H,101,102)(H,103,104)(H,117,118)(H4,83,84,85)/t47-,49-,50-,51-,52-,53-,54-,55-,56?,57+,58-,62+,63-/m0/s1
    MOLECULAR FORMULA
    C79H119N19O20S2
    CROSS REFERENCES
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    canSAR73449
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1717.83
    AlogP-0.93
    HBond donors24
    HBond acceptors39
    Atoms239
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR73449.