General Information of the Compound
| Compound ID |
CP0571419
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| Compound Name |
[(3R,5R)-4-(2,4-difluorobenzoyl)-3,5-dimethylpiperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C21H21F3N2O3
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| Molecular Weight |
406.404
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](C)N([C@H](C)C2)C(=O)c2ccc(F)cc2F)c(F)c1
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| InChI |
InChI=1S/C21H21F3N2O3/c1-12-10-25(20(27)16-7-5-15(29-3)9-19(16)24)11-13(2)26(12)21(28)17-6-4-14(22)8-18(17)23/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m1/s1
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| InChIKey |
ALAURGLLROAZOM-CHWSQXEVSA-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