General Information of the Compound
| Compound ID |
CP0548400
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| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide
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| Formula |
C44H53N15O6
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| Molecular Weight |
888.007
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)-c1nc(C)n[nH]1
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| InChI |
InChI=1S/C44H53N15O6/c1-7-58-33(20-26(3)53-58)41(61)49-43-48-32-23-30(40-46-28(5)51-52-40)25-35(63-6)37(32)56(43)13-9-10-14-57-38-31(47-44(57)50-42(62)34-21-27(4)54-59(34)8-2)22-29(39(45)60)24-36(38)65-17-11-12-55-15-18-64-19-16-55/h9-10,20-25H,7-8,11-19H2,1-6H3,(H2,45,60)(H,46,51,52)(H,47,50,62)(H,48,49,61)/b10-9+
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| InChIKey |
SIPHUFIKPCNFER-MDZDMXLPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03644, Stimulator of interferon genes protein
Protein ID: PT05006, Stimulator of interferon genes protein