General Information of the Compound
| Compound ID |
CP0167945
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| Compound Name |
N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[4,3-c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H22BrN5O3
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| Molecular Weight |
484.354
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| Canonical SMILES |
CC(=O)NCCN(Cc1ccccn1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
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| InChI |
InChI=1S/C22H22BrN5O3/c1-14(29)24-9-10-28(12-16-5-3-4-8-25-16)22(30)20-18-13-31-19-7-6-15(23)11-17(19)21(18)27(2)26-20/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,29)
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| InChIKey |
GFRDPGNGZLQWAR-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