canSAR1087017
FEATURES
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NAMES
    SMILES
    C=C(NC(=O)c1csc(-c2nc3c(cc2O)-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(cccc6n4OCCn4ccnc4)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/C66H66N16O18S5/c1-27(53(67)85)69-54(86)36-23-104-62(74-36)47-41(84)16-32-46(76-47)35-21-102-60(71-35)34-20-97-64(91)49-33-19-95-50(51(100-42-17-66(5,93)52(80(6)7)30(4)99-42)65(92)96-18-31-10-9-11-40(43(31)33)82(49)98-15-14-81-13-12-68-26-81)48(63-75-37(24-105-63)55(87)70-34)79-57(89)39-25-103-61(73-39)45(29(3)94-8)78-58(90)44(28(2)83)77-56(88)38-22-101-59(32)72-38/h9-13,16,21-26,28,30,34,42,44,48,50-52,83-84,93H,1,14-15,17-20H2,2-8H3,(H2,67,85)(H,69,86)(H,70,87)(H,77,88)(H,78,90)(H,79,89)/b45-29+/t28-,30+,34+,42+,44+,48+,50+,51+,52-,66+/m1/s1
    MOLECULAR FORMULA
    C66H66N16O18S5
    CROSS REFERENCES
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    canSAR1087017
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1530.33
    AlogP3.98
    HBond donors10
    HBond acceptors34
    Atoms171
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087017.