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canSAR781271
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NAMES
    SMILES
    CC[C@]1(O)CC[C@@H]2CN1CCC1c3ccccc3NC1[C@@H](c1cc3c(cc1OC)N(C)C1C34CCN3CC=C[C@](CC)(C34)[C@@H](OC(=O)[C@@H]3CCCN3C(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C3CC(O)CN3C(C)=O)C3CCCCC3)[C@]1(O)C(=O)OC)[C@H]2C(=O)OC
    InChI
    InChI=1S/C81H115N13O23/c1-8-78-26-16-29-91-32-28-80(74(78)91)49-34-48(62-61(73(110)115-6)44-24-27-79(112,9-2)92(36-44)31-25-47-46-19-13-14-20-50(46)83-64(47)62)59(114-5)35-57(49)90(4)75(80)81(113,77(111)116-7)76(78)117-72(109)56-21-15-30-93(56)71(108)55(41-98)88-67(104)52(38-95)85-65(102)51(22-23-60(82)101)84-70(107)63(43-17-11-10-12-18-43)89-68(105)54(40-97)86-66(103)53(39-96)87-69(106)58-33-45(100)37-94(58)42(3)99/h13-14,16,19-20,26,34-35,43-45,47,51-56,58,61-64,74-76,83,95-98,100,112-113H,8-12,15,17-18,21-25,27-33,36-41H2,1-7H3,(H2,82,101)(H,84,107)(H,85,102)(H,86,103)(H,87,106)(H,88,104)(H,89,105)/t44-,45?,47?,51?,52?,53?,54?,55?,56+,58?,61+,62+,63?,64?,74?,75?,76-,78-,79+,80?,81+/m1/s1
    MOLECULAR FORMULA
    C81H115N13O23
    CROSS REFERENCES
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    canSAR781271

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1637.82
    AlogP -3.02
    HBond donors 16
    HBond acceptors 36
    Atoms 232
    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 canSAR781271.