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canSAR655696
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
    InChI
    InChI=1S/C94H114N24O13/c1-3-51(2)82(118-92(130)79(44-57-50-108-70-31-15-9-24-63(57)70)115-86(124)72(33-35-80(97)119)109-84(122)64(96)25-18-38-102-94(100)101)93(131)111-71(32-16-17-37-95)85(123)113-77(42-55-48-106-68-29-13-7-22-61(55)68)90(128)116-75(40-53-46-104-66-27-11-5-20-59(53)66)88(126)110-73(34-36-81(98)120)87(125)114-78(43-56-49-107-69-30-14-8-23-62(56)69)91(129)117-76(41-54-47-105-67-28-12-6-21-60(54)67)89(127)112-74(83(99)121)39-52-45-103-65-26-10-4-19-58(52)65/h4-15,19-24,26-31,45-51,64,71-79,82,103-108H,3,16-18,25,32-44,95-96H2,1-2H3,(H2,97,119)(H2,98,120)(H2,99,121)(H,109,122)(H,110,126)(H,111,131)(H,112,127)(H,113,123)(H,114,125)(H,115,124)(H,116,128)(H,117,129)(H,118,130)(H4,100,101,102)/t51-,64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,82-/m0/s1
    MOLECULAR FORMULA
    C94H114N24O13
    CROSS REFERENCES
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    canSAR655696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1786.90
    AlogP 2.96
    HBond donors 30
    HBond acceptors 37
    Atoms 245
    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 canSAR655696.