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canSAR1125620
FEATURES
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NAMES
    SMILES
    COC(=O)CNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)NC(=O)[C@H](N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C69H63Cl2N9O24/c1-25(82)74-56-60(91)59(90)48(24-81)103-69(56)104-61-29-6-10-44(38(71)16-29)102-47-19-31-18-46(58(47)89)101-43-9-3-26(11-37(43)70)12-39-62(92)76-53(30-13-32(83)20-34(14-30)100-45-17-27(4-8-41(45)86)51(72)63(93)75-39)66(96)78-54(31)67(97)77-52-28-5-7-40(85)35(15-28)50-36(21-33(84)22-42(50)87)55(64(94)73-23-49(88)99-2)79-68(98)57(61)80-65(52)95/h3-11,13-22,39,48,51-57,59-61,69,81,83-87,89-91H,12,23-24,72H2,1-2H3,(H,73,94)(H,74,82)(H,75,93)(H,76,92)(H,77,97)(H,78,96)(H,79,98)(H,80,95)/t39-,48+,51-,52-,53+,54-,55+,56+,57+,59-,60-,61-,69+/m1/s1
    MOLECULAR FORMULA
    C69H63Cl2N9O24
    CROSS REFERENCES
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    canSAR1125620

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1471.34
    AlogP 2.16
    HBond donors 19
    HBond acceptors 33
    Atoms 167
    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 canSAR1125620.