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canSAR144149
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)c1cnccn1)C(=O)N[C@@H](CCCCNC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)O
    InChI
    InChI=1S/C78H100ClN17O15/c1-47(2)38-60(71(103)91-59(22-7-10-30-80)77(109)96-37-15-23-66(96)76(108)87-48(3)78(110)111)92-70(102)58(21-8-11-33-85-67(99)55-19-14-32-82-44-55)89-69(101)57(20-9-12-34-86-68(100)64-45-83-35-36-84-64)90-75(107)65(46-97)95-74(106)63(42-52-16-13-31-81-43-52)94-73(105)62(40-50-25-28-56(79)29-26-50)93-72(104)61(88-49(4)98)41-51-24-27-53-17-5-6-18-54(53)39-51/h5-6,13-14,16-19,24-29,31-32,35-36,39,43-45,47-48,57-63,65-66,97H,7-12,15,20-23,30,33-34,37-38,40-42,46,80H2,1-4H3,(H,85,99)(H,86,100)(H,87,108)(H,88,98)(H,89,101)(H,90,107)(H,91,103)(H,92,102)(H,93,104)(H,94,105)(H,95,106)(H,110,111)/t48-,57-,58-,59-,60-,61-,62-,63-,65-,66+/m0/s1
    MOLECULAR FORMULA
    C78H100ClN17O15
    CROSS REFERENCES
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    canSAR144149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1549.73
    AlogP 1.95
    HBond donors 15
    HBond acceptors 32
    Atoms 211
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR144149.