General Information of the Compound
| Compound ID |
CP0462145
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| Compound Name |
2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]-1-bicyclo[2.2.2]octanyl]acetic acid
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2
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| InChI |
InChI=1S/C23H27N3O3/c1-14-19(26-20(21(24)29)15(2)25-14)16-3-5-17(6-4-16)23-10-7-22(8-11-23,9-12-23)13-18(27)28/h3-6H,7-13H2,1-2H3,(H2,24,29)(H,27,28)
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| InChIKey |
OMVYFOALXOVXMF-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