canSAR856961
FEATURES
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NAMES
    SMILES
    CCCCCCCOc1ccc2cc(C(=O)N[C@@H]3C[C@@H](O)[C@@H](O)NC(=O)[C@@H]4[C@@H](O)[C@@H](C)CN4C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c4ccc(O)c(OS(=O)(=O)[O-])c4)NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)C([C@@H](C)O)NC3=O)ccc2c1.[Na+]
    InChI
    InChI=1S/C53H72N8O22S.Na/c1-4-5-6-7-8-15-82-31-13-11-26-16-29(10-9-27(26)17-31)46(71)55-32-20-36(66)49(74)59-51(76)42-43(68)24(2)22-61(42)53(78)40(35(65)21-38(54)67)57-50(75)41(45(70)44(69)28-12-14-34(64)37(18-28)83-84(79,80)81)58-48(73)33-19-30(63)23-60(33)52(77)39(25(3)62)56-47(32)72;/h9-14,16-18,24-25,30,32-33,35-36,39-45,49,62-66,68-70,74H,4-8,15,19-23H2,1-3H3,(H2,54,67)(H,55,71)(H,56,72)(H,57,75)(H,58,73)(H,59,76)(H,79,80,81);/q;+1/p-1/t24-,25+,30+,32+,33-,35+,36+,39?,40-,41-,42-,43-,44-,45-,49+;/m0./s1
    MOLECULAR FORMULA
    C53H71N8NaO22S
    CROSS REFERENCES
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    canSAR856961
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1226.43
    AlogP-7.63
    HBond donors16
    HBond acceptors30
    Atoms156
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856961.