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canSAR785206
FEATURES
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NAMES
    SMILES
    CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC#N)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(OC)cc(OC)c4-c4cc3ccc4OC)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC)Oc2ccc(cc2Cl)[C@H]1O
    InChI
    InChI=1S/C57H58Cl2N8O16/c1-24(2)16-35(61-3)52(71)66-46-48(68)26-9-12-37(32(58)18-26)82-40-20-28-21-41(50(40)81-7)83-38-13-10-27(19-33(38)59)49(69)47-56(75)65-45(57(76)77)31-22-29(78-4)23-39(80-6)42(31)30-17-25(8-11-36(30)79-5)43(53(72)67-47)64-54(73)44(28)63-51(70)34(14-15-60)62-55(46)74/h8-13,17-24,34-35,43-49,61,68-69H,14,16H2,1-7H3,(H,62,74)(H,63,70)(H,64,73)(H,65,75)(H,66,71)(H,67,72)(H,76,77)/t34-,35+,43+,44+,45-,46+,47-,48+,49+/m0/s1
    MOLECULAR FORMULA
    C57H58Cl2N8O16
    CROSS REFERENCES
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    canSAR785206

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1180.33
    AlogP 4.65
    HBond donors 10
    HBond acceptors 24
    Atoms 141
    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 canSAR785206.