General Information of the Compound
| Compound ID |
CP0372070
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| Compound Name |
3-(2-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1Hpyrazol-yl)-1H-pyrazol-acetamido)benzamide
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| Structure |
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| Formula |
C27H22N6O2
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| Molecular Weight |
462.513
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C(N)=O)cc1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C27H22N6O2/c1-17-5-2-9-24(30-17)26-22(18-10-11-23-19(13-18)7-4-12-29-23)15-33(32-26)16-25(34)31-21-8-3-6-20(14-21)27(28)35/h2-15H,16H2,1H3,(H2,28,35)(H,31,34)
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| InChIKey |
INACEQVBTOQUCT-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