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canSAR1125341
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NAMES
    SMILES
    CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(-c2n[nH]c(N)n2)cc1)C(=O)N[C@@H](Cc1ccc(-c2n[nH]c(N)n2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O
    InChI
    InChI=1S/C79H98ClN21O12/c1-44(2)34-58(69(105)88-57(15-8-9-32-85-45(3)4)77(113)101-33-11-16-65(101)76(112)86-42-66(81)104)89-71(107)60(36-47-17-25-53(26-18-47)67-95-78(82)99-97-67)91-73(109)62(37-48-19-27-54(28-20-48)68-96-79(83)100-98-68)93-75(111)64(43-102)94-74(110)63(40-51-12-10-31-84-41-51)92-72(108)61(38-49-22-29-56(80)30-23-49)90-70(106)59(87-46(5)103)39-50-21-24-52-13-6-7-14-55(52)35-50/h6-7,10,12-14,17-31,35,41,44-45,57-65,85,102H,8-9,11,15-16,32-34,36-40,42-43H2,1-5H3,(H2,81,104)(H,86,112)(H,87,103)(H,88,105)(H,89,107)(H,90,106)(H,91,109)(H,92,108)(H,93,111)(H,94,110)(H3,82,95,97,99)(H3,83,96,98,100)/t57-,58-,59+,60-,61-,62-,63+,64-,65+/m0/s1
    MOLECULAR FORMULA
    C79H98ClN21O12
    CROSS REFERENCES
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    canSAR1125341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1567.74
    AlogP 1.83
    HBond donors 19
    HBond acceptors 33
    Atoms 211
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125341.