General Information of the Compound
| Compound ID |
CP0272841
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| Compound Name |
3-[(E)-4-[5-carbamoyl-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]thieno[2,3-d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C39H47N13O6S
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| Molecular Weight |
825.957
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(sc2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN3CCOCC3)c12)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C39H47N13O6S/c1-5-51-28(18-23(3)46-51)35(55)44-38-42-26-20-25(33(40)53)21-30(58-15-9-10-48-13-16-57-17-14-48)32(26)49(38)11-7-8-12-50-37-27(22-31(59-37)34(41)54)43-39(50)45-36(56)29-19-24(4)47-52(29)6-2/h7-8,18-22H,5-6,9-17H2,1-4H3,(H2,40,53)(H2,41,54)(H,42,44,55)(H,43,45,56)/b8-7+
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| InChIKey |
WSBLZPMDRDWBNZ-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