General Information of the Compound
| Compound ID |
CP0532455
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| Compound Name |
(S)-3-[4-(3-Chloro-4-hydroxymethyl-phenyl)-piperazin-1-yl]-1-(4-chloro-phenyl)-propan-1-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 |
OCc1ccc(cc1Cl)N1CCN(CC[C@H](O)c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C20H24Cl2N2O2/c21-17-4-1-15(2-5-17)20(26)7-8-23-9-11-24(12-10-23)18-6-3-16(14-25)19(22)13-18/h1-6,13,20,25-26H,7-12,14H2/t20-/m0/s1
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| InChIKey |
FGFRLXWGWWTFDG-FQEVSTJZSA-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