General Information of the Compound
| Compound ID |
CP0355371
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| Compound Name |
N-(2-acetamidoethyl)-8-bromo-N-[(3-fluorophenyl)methyl]-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H22BrFN4O3
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| Molecular Weight |
501.356
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| Canonical SMILES |
CC(=O)NCCN(Cc1cccc(F)c1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
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| InChI |
InChI=1S/C23H22BrFN4O3/c1-14(30)26-8-9-29(12-15-4-3-5-17(25)10-15)23(31)21-19-13-32-20-7-6-16(24)11-18(20)22(19)28(2)27-21/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,26,30)
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| InChIKey |
XEKGISSNNSOVTC-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