General Information of the Compound
| Compound ID |
CP0417564
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| Compound Name |
(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
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| Structure |
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| Formula |
C20H24ClFN2O2
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| Molecular Weight |
378.875
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| Canonical SMILES |
O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C20H24ClFN2O2/c21-17-3-1-2-16(12-17)13-23-8-10-24(11-9-23)14-19(25)15-26-20-6-4-18(22)5-7-20/h1-7,12,19,25H,8-11,13-15H2/t19-/m0/s1
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| InChIKey |
GKKDDZFHJAKNQY-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