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canSAR99373
FEATURES
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NAMES
    SMILES
    C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](COCC(=O)OC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
    InChI
    InChI=1S/C65H115N11O15/c1-25-27-28-42(15)55(79)54-59(83)67-44(26-2)60(84)70(17)33-50(77)71(18)46(29-36(3)4)58(82)69-52(40(11)12)64(88)72(19)47(30-37(5)6)57(81)66-43(16)56(80)68-45(34-91-35-51(78)90-24)61(85)73(20)48(31-38(7)8)62(86)74(21)49(32-39(9)10)63(87)75(22)53(41(13)14)65(89)76(54)23/h25,27,36-49,52-55,79H,26,28-35H2,1-24H3,(H,66,81)(H,67,83)(H,68,80)(H,69,82)/b27-25+/t42-,43+,44+,45-,46+,47+,48+,49+,52+,53+,54+,55-/m1/s1
    MOLECULAR FORMULA
    C65H115N11O15
    CROSS REFERENCES
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    canSAR99373

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1289.86
    AlogP 2.44
    HBond donors 5
    HBond acceptors 26
    Atoms 206
    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 canSAR99373.