General Information of the Compound
| Compound ID |
CP0798361
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| Compound Name |
2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,2'-dichlorobiphenyl-4-yl)acetic acid
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| Structure |
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| Formula |
C21H17Cl2N3O3
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| Molecular Weight |
430.291
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| Canonical SMILES |
Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3Cl)c(Cl)c2)nc1C(N)=O
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| InChI |
InChI=1S/C21H17Cl2N3O3/c1-10-19(26-20(21(24)29)11(2)25-10)13-4-6-15(17(23)9-13)14-5-3-12(7-16(14)22)8-18(27)28/h3-7,9H,8H2,1-2H3,(H2,24,29)(H,27,28)
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| InChIKey |
JBPKLRDXEWMGAS-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