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canSAR785535
FEATURES
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NAMES
    SMILES
    CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(CN4CCC(O)CC4)C(N)=O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
    InChI
    InChI=1S/C66H71N15O19S5/c1-26(82)44-58(90)77-45(27(2)95-7)61-72-39(25-103-61)57(89)78-48-50-51(100-42-16-66(4,93)52(79(5)6)28(3)99-42)65(92)97-18-29-9-8-10-40-43(29)32(19-96-50)49(81(40)94)64(91)98-20-34(69-55(87)37-24-105-63(48)74-37)60-70-35(21-102-60)46-31(59-71-38(22-101-59)56(88)76-44)15-41(84)47(75-46)62-73-36(23-104-62)54(86)68-33(53(67)85)17-80-13-11-30(83)12-14-80/h8-10,15,21-26,28,30,33-34,42,44,48,50-52,82-84,93-94H,11-14,16-20H2,1-7H3,(H2,67,85)(H,68,86)(H,69,87)(H,76,88)(H,77,90)(H,78,89)/b45-27+/t26-,28+,33?,34+,42+,44+,48+,50+,51+,52-,66+/m1/s1
    MOLECULAR FORMULA
    C66H71N15O19S5
    CROSS REFERENCES
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    canSAR785535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1537.37
    AlogP 3.20
    HBond donors 12
    HBond acceptors 34
    Atoms 176
    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 canSAR785535.