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canSAR1147042
FEATURES
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NAMES
    SMILES
    C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C73H87N19O16/c1-39-62(98)85-53(30-41-14-7-4-8-15-41)70(106)91-73(2,71(107)108)92(58(61(76)97)31-43-21-25-47(94)26-22-43)60(96)35-57(86-63(99)49(74)28-42-19-23-46(93)24-20-42)69(105)89-55(33-45-37-79-38-82-45)68(104)87-52(29-40-12-5-3-6-13-40)66(102)84-51(18-11-27-80-72(77)78)64(100)88-54(32-44-36-81-50-17-10-9-16-48(44)50)67(103)90-56(34-59(75)95)65(101)83-39/h3-10,12-17,19-26,36-39,49,51-58,81,93-94H,11,18,27-35,74H2,1-2H3,(H2,75,95)(H2,76,97)(H,79,82)(H,83,101)(H,84,102)(H,85,98)(H,86,99)(H,87,104)(H,88,100)(H,89,105)(H,90,103)(H,91,106)(H,107,108)(H4,77,78,80)/t39-,49-,51-,52+,53+,54-,55-,56-,57-,58-,73-/m0/s1
    MOLECULAR FORMULA
    C73H87N19O16
    CROSS REFERENCES
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    canSAR1147042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1485.66
    AlogP -2.78
    HBond donors 24
    HBond acceptors 35
    Atoms 195
    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 canSAR1147042.