General Information of the Compound
| Compound ID |
CP0127762
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| Compound Name |
(2S)-1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
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| Structure |
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| Formula |
C20H24Cl2N2O2
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| Molecular Weight |
395.33
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| Canonical SMILES |
O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C20H24Cl2N2O2/c21-17-3-1-16(2-4-17)13-23-9-11-24(12-10-23)14-19(25)15-26-20-7-5-18(22)6-8-20/h1-8,19,25H,9-15H2/t19-/m0/s1
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| InChIKey |
UVSWZWUMODMVRM-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