General Information of the Compound
| Compound ID |
CP0427697
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| Compound Name |
4-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)-N-(4-chlorophenyl)butanamide
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| Structure |
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| Formula |
C21H24Cl2FN3O
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| Molecular Weight |
424.347
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| Canonical SMILES |
Fc1cccc(Cl)c1CN1CCN(CCCC(=O)Nc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C21H24Cl2FN3O/c22-16-6-8-17(9-7-16)25-21(28)5-2-10-26-11-13-27(14-12-26)15-18-19(23)3-1-4-20(18)24/h1,3-4,6-9H,2,5,10-15H2,(H,25,28)
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| InChIKey |
MJBDXOPGKSGWDR-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