General Information of the Compound
| Compound ID |
CP0505445
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| Compound Name |
1-(4-(4-chloro-2-methylphenyl)piperazin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
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| Structure |
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| Formula |
C19H22ClN3O2
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| Molecular Weight |
359.857
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| Canonical SMILES |
Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)COCc1ccncc1
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| InChI |
InChI=1S/C19H22ClN3O2/c1-15-12-17(20)2-3-18(15)22-8-10-23(11-9-22)19(24)14-25-13-16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3
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| InChIKey |
RXMRMUKXZYDILW-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