canSAR284910
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](C)O)C(=O)N1CCCCC1C(=O)N1C[C@@H](O/N=C\c2ccc(O)c(C(=O)O)c2)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O
    InChI
    InChI=1S/C77H91N13O26S/c1-38(71(108)89-28-6-4-9-55(89)73(110)90-37-44(116-80-36-40-13-23-57(94)46(31-40)74(111)112)35-56(90)69(106)84-51(21-25-62(98)99)66(103)83-50(65(78)102)20-24-61(96)97)81-70(107)64(39(2)91)86-68(105)54-11-8-30-88(54)72(109)52(22-26-63(100)101)85-67(104)53-10-7-29-87(53)60(95)12-3-5-27-79-76(117)82-41-14-17-45-49(32-41)77(115-75(45)113)47-18-15-42(92)33-58(47)114-59-34-43(93)16-19-48(59)77/h13-19,23,31-34,36,38-39,44,50-56,64,91-94H,3-12,20-22,24-30,35,37H2,1-2H3,(H2,78,102)(H,81,107)(H,83,103)(H,84,106)(H,85,104)(H,86,105)(H,96,97)(H,98,99)(H,100,101)(H,111,112)(H2,79,82,117)/b80-36-/t38-,39+,44-,50-,51-,52-,53-,54-,55?,56-,64-/m0/s1
    MOLECULAR FORMULA
    C77H91N13O26S
    CROSS REFERENCES
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    canSAR284910
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1645.59
    AlogP0.81
    HBond donors17
    HBond acceptors39
    Atoms208
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR284910.