General Information of the Compound
| Compound ID |
CP0388243
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| Compound Name |
[(3R,5R)-4-(4-ethoxy-2-fluorobenzoyl)-3,5-dimethylpiperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C23H26F2N2O4
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| Molecular Weight |
432.467
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| Canonical SMILES |
CCOc1ccc(C(=O)N2[C@H](C)CN(C[C@H]2C)C(=O)c2ccc(OC)cc2F)c(F)c1
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| InChI |
InChI=1S/C23H26F2N2O4/c1-5-31-17-7-9-19(21(25)11-17)23(29)27-14(2)12-26(13-15(27)3)22(28)18-8-6-16(30-4)10-20(18)24/h6-11,14-15H,5,12-13H2,1-4H3/t14-,15-/m1/s1
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| InChIKey |
BAMXKJKQDZCLNC-HUUCEWRRSA-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