canSAR823714
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(C)=O)[C@H](O)[C@H](C)O1
    InChI
    InChI=1S/C71H88N8O23/c1-34(2)23-44(78-69(96)49-16-12-22-79(49)70(97)47(26-54(85)86)73-37(6)81)65(92)72-30-53(84)74-48(33-100-32-39-13-9-8-10-14-39)68(95)77-46(25-38-18-20-40(82)21-19-38)67(94)76-45(24-35(3)4)66(93)75-43-27-55(101-36(5)60(43)87)102-51-29-71(98,52(83)31-80)28-42-57(51)64(91)59-58(62(42)89)61(88)41-15-11-17-50(99-7)56(41)63(59)90/h8-11,13-15,17-21,34-36,43-49,51,55,60,80,82,87,89,91,98H,12,16,22-33H2,1-7H3,(H,72,92)(H,73,81)(H,74,84)(H,75,93)(H,76,94)(H,77,95)(H,78,96)(H,85,86)/t36-,43-,44-,45-,46-,47-,48-,49-,51-,55-,60+,71-/m0/s1
    MOLECULAR FORMULA
    C71H88N8O23
    CROSS REFERENCES
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    canSAR823714
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1420.60
    AlogP0.44
    HBond donors14
    HBond acceptors31
    Atoms190
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823714.