General Information of the Compound
| Compound ID |
CP0387753
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| Compound Name |
1-(4-chloro-3-(trifluoromethyl)phenyl)-4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidine
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| Structure |
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| Formula |
C20H15Cl2F4N3O
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| Molecular Weight |
460.258
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| Canonical SMILES |
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2ccc(Cl)c(c2)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C20H15Cl2F4N3O/c21-16-4-2-13(10-15(16)20(24,25)26)29-7-5-11(6-8-29)19-27-18(28-30-19)14-3-1-12(23)9-17(14)22/h1-4,9-11H,5-8H2
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| InChIKey |
ILTVKWITCXQNDJ-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