General Information of the Compound
| Compound ID |
CP0248590
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| Compound Name |
benzyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C27H31N7O5
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| Molecular Weight |
533.589
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
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| InChIKey |
KYPRTXHJJCGCSW-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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