General Information of the Compound
| Compound ID |
CP0843877
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| Compound Name |
2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2'-cyanobiphenyl-4-yl)acetic acid
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| Structure |
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| Formula |
C22H18N4O3
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| Molecular Weight |
386.411
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| Canonical SMILES |
Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3)c(C#N)c2)nc1C(N)=O
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| InChI |
InChI=1S/C22H18N4O3/c1-12-20(26-21(22(24)29)13(2)25-12)16-7-8-18(17(10-16)11-23)15-5-3-14(4-6-15)9-19(27)28/h3-8,10H,9H2,1-2H3,(H2,24,29)(H,27,28)
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| InChIKey |
CRAGUSLPNIDTST-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