canSAR158581
FEATURES
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NAMES
    SMILES
    CCc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(-c3ccccc3C)cc2)C(N)=O)cc1
    InChI
    InChI=1S/C73H90N14O18/c1-6-46-17-11-13-19-51(46)48-26-22-45(23-27-48)32-55(68(100)81-54(64(75)96)30-44-20-24-47(25-21-44)50-18-12-10-14-39(50)2)82-69(101)57(34-61(94)95)83-71(103)58(37-88)85-73(105)63(42(5)90)87-70(102)56(31-43-15-8-7-9-16-43)84-72(104)62(41(4)89)86-59(91)36-77-67(99)53(28-29-60(92)93)80-65(97)40(3)79-66(98)52(74)33-49-35-76-38-78-49/h7-27,35,38,40-42,52-58,62-63,88-90H,6,28-34,36-37,74H2,1-5H3,(H2,75,96)(H,76,78)(H,77,99)(H,79,98)(H,80,97)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,105)(H,86,91)(H,87,102)(H,92,93)(H,94,95)/t40-,41+,42+,52-,53-,54-,55-,56-,57-,58-,62-,63-/m0/s1
    MOLECULAR FORMULA
    C73H90N14O18
    CROSS REFERENCES
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    canSAR158581
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1450.66
    AlogP-1.71
    HBond donors20
    HBond acceptors32
    Atoms195
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR158581.