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canSAR1130177
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NAMES
    SMILES
    Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(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)c(N)c1=O
    InChI
    InChI=1S/C69H89N13O17/c1-30(2)46-66(92)81-26-20-24-39(81)64(90)77(13)28-41(83)79(15)53(32(5)6)68(94)96-36(11)48(61(88)72-46)74-59(86)43-45(70)55(85)34(9)56-50(43)71-51-44(52-58(35(10)57(51)98-56)99-63(76-52)38-22-18-17-19-23-38)60(87)75-49-37(12)97-69(95)54(33(7)8)80(16)42(84)29-78(14)65(91)40-25-21-27-82(40)67(93)47(31(3)4)73-62(49)89/h17-19,22-23,30-33,36-37,39-40,46-49,53-54H,20-21,24-29,70H2,1-16H3,(H,72,88)(H,73,89)(H,74,86)(H,75,87)/t36-,37-,39+,40+,46-,47-,48+,49+,53+,54+/m1/s1
    MOLECULAR FORMULA
    C69H89N13O17
    CROSS REFERENCES
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    canSAR1130177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1371.65
    AlogP 2.53
    HBond donors 6
    HBond acceptors 30
    Atoms 188
    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 canSAR1130177.