General Information of the Compound
| Compound ID |
CP0568633
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| Compound Name |
1-(2-ethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H22N4O
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| Molecular Weight |
370.456
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| Canonical SMILES |
CCc1ccccc1-n1nc(C)c(C(=O)Nc2ccc3ccccc3n2)c1C
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| InChI |
InChI=1S/C23H22N4O/c1-4-17-9-6-8-12-20(17)27-16(3)22(15(2)26-27)23(28)25-21-14-13-18-10-5-7-11-19(18)24-21/h5-14H,4H2,1-3H3,(H,24,25,28)
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| InChIKey |
FVSFVFIMDDDELE-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