General Information of the Compound
| Compound ID |
CP0470936
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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]-5-(1H-imidazol-2-yl)-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-7-methoxybenzimidazole-5-carboxamide
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| Formula |
C44H52N14O6
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| Molecular Weight |
872.992
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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)-c1ncc[nH]1)C(N)=O
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| InChI |
InChI=1S/C44H52N14O6/c1-6-57-33(21-27(3)52-57)41(60)50-43-48-31-23-29(39(45)59)25-35(62-5)37(31)55(43)14-8-9-15-56-38-32(49-44(56)51-42(61)34-22-28(4)53-58(34)7-2)24-30(40-46-11-12-47-40)26-36(38)64-18-10-13-54-16-19-63-20-17-54/h8-9,11-12,21-26H,6-7,10,13-20H2,1-5H3,(H2,45,59)(H,46,47)(H,48,50,60)(H,49,51,61)/b9-8+
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| InChIKey |
BGJMXKZYDQAUJC-CMDGGOBGSA-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