canSAR2063113
FEATURES
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NAMES
    SMILES
    CCc1c(Cn2cc(CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)nn2)c(CC)c(Cn2cc(CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)nn2)c(CC)c1Cn1cc(CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)nn1
    InChI
    InChI=1S/C75H99N27O9/c1-4-49-55(40-100-37-46(94-97-100)34-88-61(22-13-25-82-73(76)77)67(103)91-64(70(106)107)28-43-31-85-58-19-10-7-16-52(43)58)50(5-2)57(42-102-39-48(96-99-102)36-90-63(24-15-27-84-75(80)81)69(105)93-66(72(110)111)30-45-33-87-60-21-12-9-18-54(45)60)51(6-3)56(49)41-101-38-47(95-98-101)35-89-62(23-14-26-83-74(78)79)68(104)92-65(71(108)109)29-44-32-86-59-20-11-8-17-53(44)59/h7-12,16-21,31-33,37-39,61-66,85-90H,4-6,13-15,22-30,34-36,40-42H2,1-3H3,(H,91,103)(H,92,104)(H,93,105)(H,106,107)(H,108,109)(H,110,111)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t61-,62-,63-,64-,65-,66-/m0/s1
    MOLECULAR FORMULA
    C75H99N27O9
    CROSS REFERENCES
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    canSAR2063113
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1521.81
    AlogP2.34
    HBond donors24
    HBond acceptors36
    Atoms210
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063113.