General Information of the Compound
| Compound ID |
CP0243314
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| Compound Name |
benzyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C33H42N8O6
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| Molecular Weight |
646.749
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OCCCN3CCOCC3)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C33H42N8O6/c1-3-41-27(19-23(2)38-41)31(43)37-32-36-26-20-25(30(34)42)21-28(46-16-8-12-39-14-17-45-18-15-39)29(26)40(32)13-7-11-35-33(44)47-22-24-9-5-4-6-10-24/h4-6,9-10,19-21H,3,7-8,11-18,22H2,1-2H3,(H2,34,42)(H,35,44)(H,36,37,43)
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| InChIKey |
QBLRPNFQUWGXPW-UHFFFAOYSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000040 | THP-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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