General Information of the Compound
| Compound ID |
CP0566000
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| Compound Name |
(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
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| Structure |
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| Formula |
C21H24ClF3N2O2
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| Molecular Weight |
428.882
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| Canonical SMILES |
O[C@H](COc1ccc(cc1)C(F)(F)F)CN1CCN(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C21H24ClF3N2O2/c22-18-5-1-16(2-6-18)13-26-9-11-27(12-10-26)14-19(28)15-29-20-7-3-17(4-8-20)21(23,24)25/h1-8,19,28H,9-15H2/t19-/m0/s1
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| InChIKey |
VKVZFLVANUHINZ-IBGZPJMESA-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