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canSAR786275
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C74H101N23O10/c1-3-41(2)62(70(105)95-59(34-43-38-87-52-23-9-5-18-47(43)52)68(103)96-61(71(106)107)36-45-40-89-54-25-11-7-20-49(45)54)97-69(104)60(35-44-39-88-53-24-10-6-19-48(44)53)94-67(102)58(33-42-37-86-51-22-8-4-17-46(42)51)93-66(101)55(26-12-13-29-75)91-65(100)57(28-16-32-85-74(81)82)92-64(99)56(27-15-31-84-73(79)80)90-63(98)50(76)21-14-30-83-72(77)78/h4-11,17-20,22-25,37-41,50,55-62,86-89H,3,12-16,21,26-36,75-76H2,1-2H3,(H,90,98)(H,91,100)(H,92,99)(H,93,101)(H,94,102)(H,95,105)(H,96,103)(H,97,104)(H,106,107)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t41-,50-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
    MOLECULAR FORMULA
    C74H101N23O10
    CROSS REFERENCES
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    canSAR786275

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1471.81
    AlogP 1.14
    HBond donors 29
    HBond acceptors 33
    Atoms 208
    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 canSAR786275.