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canSAR1123703
FEATURES
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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)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
    InChI
    InChI=1S/C80H104ClN15O14/c1-48(2)39-63(73(103)90-62(22-11-12-36-85-49(3)4)80(110)96-38-16-23-68(96)77(107)87-50(5)70(82)100)91-72(102)61(21-10-13-37-86-71(101)58-20-15-35-84-46-58)89-78(108)69(44-53-27-32-60(99)33-28-53)95(7)79(109)67(47-97)94-76(106)66(43-55-17-14-34-83-45-55)93-75(105)65(41-52-25-30-59(81)31-26-52)92-74(104)64(88-51(6)98)42-54-24-29-56-18-8-9-19-57(56)40-54/h8-9,14-15,17-20,24-35,40,45-46,48-50,61-69,85,97,99H,10-13,16,21-23,36-39,41-44,47H2,1-7H3,(H2,82,100)(H,86,101)(H,87,107)(H,88,98)(H,89,108)(H,90,103)(H,91,102)(H,92,104)(H,93,105)(H,94,106)/t50-,61-,62-,63-,64+,65-,66+,67-,68+,69-/m0/s1
    MOLECULAR FORMULA
    C80H104ClN15O14
    CROSS REFERENCES
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    canSAR1123703

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1533.76
    AlogP 3.29
    HBond donors 14
    HBond acceptors 29
    Atoms 214
    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 canSAR1123703.