General Information of the Compound
| Compound ID |
CP0543207
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| Compound Name |
3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(oxetan-3-yloxy)benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thieno[2,3-d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C35H38N12O6S
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| Molecular Weight |
754.834
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(sc2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OC3COC3)c12)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C35H38N12O6S/c1-5-46-24(11-18(3)42-46)31(50)40-34-38-22-13-20(29(36)48)14-26(53-21-16-52-17-21)28(22)44(34)9-7-8-10-45-33-23(15-27(54-33)30(37)49)39-35(45)41-32(51)25-12-19(4)43-47(25)6-2/h7-8,11-15,21H,5-6,9-10,16-17H2,1-4H3,(H2,36,48)(H2,37,49)(H,38,40,50)(H,39,41,51)/b8-7+
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| InChIKey |
CYHVBQMAILUMJB-BQYQJAHWSA-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