canSAR384837
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c1cc(O)c(CNC1C3CC4CC(C3)CC1C4)c2O
    InChI
    InChI=1S/C70H65Cl2N9O17/c1-74-66(91)59-40-25-47(85)41(26-75-55-33-11-28-10-29(13-33)14-34(55)12-28)62(87)53(40)39-19-31(4-6-45(39)83)56-67(92)81-60(70(95)80-59)61(86)32-5-9-49(43(72)20-32)98-52-23-36-22-51(63(52)88)97-48-8-2-27(15-42(48)71)16-44-64(89)77-57(68(93)79-58(36)69(94)78-56)35-17-37(82)24-38(18-35)96-50-21-30(3-7-46(50)84)54(73)65(90)76-44/h2-9,15,17-25,28-29,33-34,44,54-61,75,82-88H,10-14,16,26,73H2,1H3,(H,74,91)(H,76,90)(H,77,89)(H,78,94)(H,79,93)(H,80,95)(H,81,92)/t28?,29?,33?,34?,44?,54?,55?,56?,57?,58?,59-,60?,61?/m1/s1
    MOLECULAR FORMULA
    C70H65Cl2N9O17
    CROSS REFERENCES
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    canSAR384837
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1373.39
    AlogP6.56
    HBond donors17
    HBond acceptors26
    Atoms163
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR384837.