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canSAR1131273
FEATURES
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NAMES
    SMILES
    CCN(CC)CCCNC(=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[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc(O)cc21
    InChI
    InChI=1S/C79H84Cl2N10O27/c1-4-91(5-2)16-6-15-83-73(107)61-42-27-39(96)28-51(115-79-69(104)68(103)66(101)55(30-93)117-79)56(42)41-21-34(9-11-46(41)97)58-74(108)90-63(77(111)89-61)70(118-78-62(84-31(3)94)67(102)65(100)54(29-92)116-78)35-10-14-49(44(81)22-35)114-53-25-37-24-52(64(53)99)113-48-13-7-32(17-43(48)80)18-45-71(105)86-59(75(109)88-60(37)76(110)87-58)36-19-38(95)26-40(20-36)112-50-23-33(8-12-47(50)98)57(82)72(106)85-45/h7-14,17,19-28,45,54-55,57-63,65-70,78-79,92-93,95-104H,4-6,15-16,18,29-30,82H2,1-3H3,(H,83,107)(H,84,94)(H,85,106)(H,86,105)(H,87,110)(H,88,109)(H,89,111)(H,90,108)/t45-,54+,55-,57-,58-,59+,60-,61+,62+,63+,65-,66-,67-,68-,69+,70-,78+,79+/m1/s1
    MOLECULAR FORMULA
    C79H84Cl2N10O27
    CROSS REFERENCES
    1131273 logo

    canSAR1131273

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1674.49
    AlogP 1.19
    HBond donors 22
    HBond acceptors 37
    Atoms 202
    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 canSAR1131273.