General Information of the Compound
| Compound ID |
CP0552760
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| Compound Name |
(2,3-dichlorophenyl)-[3-phenyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C20H19Cl2F3N2O
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| Molecular Weight |
431.285
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| Canonical SMILES |
FC(F)(F)CCN1CCN(CC1c1ccccc1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C20H19Cl2F3N2O/c21-16-8-4-7-15(18(16)22)19(28)27-12-11-26(10-9-20(23,24)25)17(13-27)14-5-2-1-3-6-14/h1-8,17H,9-13H2
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| InChIKey |
VUMDMSUSNUEIQI-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