canSAR1087477
FEATURES
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NAMES
    SMILES
    C=C(NC(=O)c1csc(-c2nc3c(cc2OCCCS(=O)(=O)O)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C(\C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@@H](COC(=O)c4c5c6c(cccc6n4O)COC(=O)[C@@H](O[C@H]4C[C@](C)(O)[C@H](N(C)C)[C@H](C)O4)[C@H]2OC5)c2nc-3cs2)n1)C(N)=O
    InChI
    InChI=1S/C64H66N14O21S6/c1-25(51(65)80)66-52(81)34-22-103-60(71-34)45-39(94-13-10-14-105(90,91)92)15-30-44(73-45)33-20-101-58(68-33)32-19-97-62(86)47-31-18-95-48(49(99-40-16-64(5,88)50(77(6)7)28(4)98-40)63(87)96-17-29-11-9-12-38(41(29)31)78(47)89)46(61-72-35(23-104-61)53(82)67-32)76-55(84)37-24-102-59(70-37)43(27(3)93-8)75-56(85)42(26(2)79)74-54(83)36-21-100-57(30)69-36/h9,11-12,15,20-24,26,28,32,40,42,46,48-50,79,88-89H,1,10,13-14,16-19H2,2-8H3,(H2,65,80)(H,66,81)(H,67,82)(H,74,83)(H,75,85)(H,76,84)(H,90,91,92)/b43-27+/t26-,28+,32+,40+,42+,46+,48+,49+,50-,64+/m1/s1
    MOLECULAR FORMULA
    C64H66N14O21S6
    CROSS REFERENCES
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    canSAR1087477
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1558.29
    AlogP3.84
    HBond donors11
    HBond acceptors35
    Atoms171
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087477.