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canSAR654610
FEATURES
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NAMES
    SMILES
    CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)[C@H](CCNC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)NC(=O)c5nc(NC(=O)CCNC(=O)c6nc(NC(=O)c7nccn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
    InChI
    InChI=1S/C68H87Cl2N23O11/c1-85(2)28-11-23-71-56(95)19-25-74-62(98)49-32-44(37-87(49)4)77-64(100)51-34-46(39-89(51)6)79-65(101)52-35-45(38-90(52)7)78-63(99)50-33-43(36-88(50)5)76-61(97)48(18-24-72-55(94)13-10-12-42-14-16-47(17-15-42)93(29-21-69)30-22-70)80-68(104)60-82-53(40-92(60)9)81-57(96)20-26-75-66(102)59-83-54(41-91(59)8)84-67(103)58-73-27-31-86(58)3/h14-17,27,31-41,48H,10-13,18-26,28-30H2,1-9H3,(H,71,95)(H,72,94)(H,74,98)(H,75,102)(H,76,97)(H,77,100)(H,78,99)(H,79,101)(H,80,104)(H,81,96)(H,84,103)/t48-/m0/s1
    MOLECULAR FORMULA
    C68H87Cl2N23O11
    CROSS REFERENCES
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    canSAR654610

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1471.63
    AlogP 3.75
    HBond donors 11
    HBond acceptors 34
    Atoms 191
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654610.