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canSAR344844
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(N)=O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)OC(=O)[C@@H](C)CCCN
    InChI
    InChI=1S/C72H119ClN14O23/c1-10-11-12-13-14-15-16-17-18-19-20-23-45(110-72(109)37(4)22-21-27-74)32-53(97)80-57(40(7)89)67(104)78-38(5)63(100)79-47(30-43-24-25-49(93)46(73)29-43)64(101)82-55(36(2)3)70(107)87-35-44(92)31-48(87)65(102)83-58(41(8)90)68(105)84-59(42(9)91)71(108)86-28-26-50(94)61(86)69(106)85-60(51(95)33-52(75)96)66(103)77-34-54(98)81-56(39(6)88)62(76)99/h24-25,29,36-42,44-45,47-48,50-51,55-61,88-95H,10-23,26-28,30-35,74H2,1-9H3,(H2,75,96)(H2,76,99)(H,77,103)(H,78,104)(H,79,100)(H,80,97)(H,81,98)(H,82,101)(H,83,102)(H,84,105)(H,85,106)/t37-,38+,39+,40+,41+,42+,44+,45+,47-,48-,50-,51+,55-,56+,57+,58+,59-,60-,61-/m0/s1
    MOLECULAR FORMULA
    C72H119ClN14O23
    CROSS REFERENCES
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    canSAR344844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1582.83
    AlogP -4.20
    HBond donors 23
    HBond acceptors 37
    Atoms 229
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR344844.