General Information of the Compound
| Compound ID |
CP0549128
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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]-7-methoxy-5-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]but-2-enyl]-7-(3-hydroxypropoxy)benzimidazole-5-carboxamide
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| Formula |
C39H44N14O6
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| Molecular Weight |
804.873
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OCCCO)c2n1C\C=C\Cn1c2c(OC)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)-c1ncn[nH]1)C(N)=O
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| InChI |
InChI=1S/C39H44N14O6/c1-6-52-28(15-22(3)48-52)36(56)45-38-44-27-18-25(35-41-21-42-47-35)20-30(58-5)32(27)50(38)11-8-9-12-51-33-26(17-24(34(40)55)19-31(33)59-14-10-13-54)43-39(51)46-37(57)29-16-23(4)49-53(29)7-2/h8-9,15-21,54H,6-7,10-14H2,1-5H3,(H2,40,55)(H,41,42,47)(H,43,46,57)(H,44,45,56)/b9-8+
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| InChIKey |
YBOJXYUPGPWHIJ-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