General Information of the Compound
| Compound ID |
CP0488208
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| Compound Name |
3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-[(3S)-oxolan-3-yl]oxybenzimidazol-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 |
C36H40N12O6S
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| Molecular Weight |
768.861
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(sc2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(O[C@H]3CCOC3)c12)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C36H40N12O6S/c1-5-47-25(13-19(3)43-47)32(51)41-35-39-23-15-21(30(37)49)16-27(54-22-9-12-53-18-22)29(23)45(35)10-7-8-11-46-34-24(17-28(55-34)31(38)50)40-36(46)42-33(52)26-14-20(4)44-48(26)6-2/h7-8,13-17,22H,5-6,9-12,18H2,1-4H3,(H2,37,49)(H2,38,50)(H,39,41,51)(H,40,42,52)/b8-7+/t22-/m0/s1
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| InChIKey |
TZNRCNMTHDRETM-DORXLWPQSA-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