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canSAR1130266
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]3C)c3nc(-c4ccccc4)oc3c1C)N2
    InChI
    InChI=1S/C69H90N12O16/c1-32(2)47-66(90)80-28-20-24-42(80)64(88)76(13)30-44(82)78(15)54(34(5)6)68(92)94-38(11)49(61(86)71-47)73-59(84)41-27-26-36(9)56-51(41)70-52-46(53-58(37(10)57(52)96-56)97-63(75-53)40-22-18-17-19-23-40)60(85)74-50-39(12)95-69(93)55(35(7)8)79(16)45(83)31-77(14)65(89)43-25-21-29-81(43)67(91)48(33(3)4)72-62(50)87/h17-19,22-23,26-27,32-35,38-39,42-43,47-50,54-55,70H,20-21,24-25,28-31H2,1-16H3,(H,71,86)(H,72,87)(H,73,84)(H,74,85)/t38-,39+,42+,43+,47-,48-,49+,50-,54+,55+/m1/s1
    MOLECULAR FORMULA
    C69H90N12O16
    CROSS REFERENCES
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    canSAR1130266

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1342.66
    AlogP 4.19
    HBond donors 5
    HBond acceptors 28
    Atoms 187
    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 canSAR1130266.