General Information of the Compound
| Compound ID |
CP0439000
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| Compound Name |
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
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| Structure |
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| Formula |
C26H21N5O
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| Molecular Weight |
419.488
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| Canonical SMILES |
Cc1cccc(n1)-c1cn(Cc2cccc(c2)C(N)=O)nc1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C26H21N5O/c1-17-5-2-9-24(29-17)22-16-31(15-18-6-3-7-21(13-18)26(27)32)30-25(22)20-10-11-23-19(14-20)8-4-12-28-23/h2-14,16H,15H2,1H3,(H2,27,32)
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| InChIKey |
GVWLWHOUKASNRW-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