General Information of the Compound
| Compound ID |
CP0429285
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| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethyl]piperazine
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| Structure |
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| Formula |
C19H20F6N2OS
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| Molecular Weight |
438.437
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| Canonical SMILES |
FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccs2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H20F6N2OS/c20-18(21,22)14-8-13(9-15(10-14)19(23,24)25)11-28-12-16(17-2-1-7-29-17)27-5-3-26-4-6-27/h1-2,7-10,16,26H,3-6,11-12H2
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| InChIKey |
SYKPKIXOVNHMMP-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