General Information of the Compound
| Compound ID |
CP0516539
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| Compound Name |
[4-(2-fluoro-4-methoxybenzoyl)-3-methylpiperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C21H22F2N2O4
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| Molecular Weight |
404.413
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| Canonical SMILES |
COc1ccc(C(=O)N2CCN(C(C)C2)C(=O)c2ccc(OC)cc2F)c(F)c1
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| InChI |
InChI=1S/C21H22F2N2O4/c1-13-12-24(20(26)16-6-4-14(28-2)10-18(16)22)8-9-25(13)21(27)17-7-5-15(29-3)11-19(17)23/h4-7,10-11,13H,8-9,12H2,1-3H3
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| InChIKey |
RHJGRQUCAGHHCK-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