canSAR414086
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](C)O)C(=O)N1CCCCC1C(=O)N1C[C@H](O/N=C\c2ccccc2)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O
    InChI
    InChI=1S/C76H91N13O23S/c1-40(71(106)88-31-9-7-14-56(88)73(108)89-39-46(112-79-38-42-12-4-3-5-13-42)37-57(89)69(104)83-52(25-28-62(96)97)66(101)82-51(65(77)100)24-27-61(94)95)80-70(105)64(41(2)90)85-68(103)55-16-11-33-87(55)72(107)53(26-29-63(98)99)84-67(102)54-15-10-32-86(54)60(93)17-6-8-30-78-75(113)81-43-18-21-47-50(34-43)76(111-74(47)109)48-22-19-44(91)35-58(48)110-59-36-45(92)20-23-49(59)76/h3-5,12-13,18-23,34-36,38,40-41,46,51-57,64,90-92H,6-11,14-17,24-33,37,39H2,1-2H3,(H2,77,100)(H,80,105)(H,82,101)(H,83,104)(H,84,102)(H,85,103)(H,94,95)(H,96,97)(H,98,99)(H2,78,81,113)/b79-38-/t40-,41+,46+,51-,52-,53-,54-,55-,56?,57-,64-/m0/s1
    MOLECULAR FORMULA
    C76H91N13O23S
    CROSS REFERENCES
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    canSAR414086
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1585.61
    AlogP1.41
    HBond donors15
    HBond acceptors36
    Atoms204
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR414086.