General Information of the Compound
| Compound ID |
CP0470945
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| Compound Name |
1-[(E)-4-[5-cyano-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide
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| Formula |
C42H49N13O6
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| Molecular Weight |
831.939
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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)C(N)=O
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| InChI |
InChI=1S/C42H49N13O6/c1-6-54-32(19-26(3)49-54)39(57)47-41-45-30-21-28(25-43)22-35(61-16-10-11-51-14-17-60-18-15-51)37(30)53(41)13-9-8-12-52-36-31(23-29(38(44)56)24-34(36)59-5)46-42(52)48-40(58)33-20-27(4)50-55(33)7-2/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,44,56)(H,45,47,57)(H,46,48,58)/b9-8+
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| InChIKey |
SHIRCBYNJLJLBL-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