General Information of the Compound
| Compound ID |
CP0474127
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-((2-(4-chlorophenyl)thiazol-4-yl)methyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C23H23Cl2N3O2S
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| Molecular Weight |
476.429
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| Canonical SMILES |
Clc1ccc(cc1)-c1nc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)cs1
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| InChI |
InChI=1S/C23H23Cl2N3O2S/c24-17-6-4-16(5-7-17)23-27-20(15-31-23)13-28-10-8-19(9-11-28)26-22(29)14-30-21-3-1-2-18(25)12-21/h1-7,12,15,19H,8-11,13-14H2,(H,26,29)
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| InChIKey |
SHRPQTLDBVTUOB-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