General Information of the Compound
| Compound ID |
CP0507254
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| Compound Name |
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C21H24Cl2N2O3
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| Molecular Weight |
423.34
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| Canonical SMILES |
COc1cccc(c1)C(=O)NCCN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H24Cl2N2O3/c1-27-17-4-2-3-15(13-17)21(26)24-9-12-25-10-7-16(8-11-25)28-18-5-6-19(22)20(23)14-18/h2-6,13-14,16H,7-12H2,1H3,(H,24,26)
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| InChIKey |
WOCAUAGFAOCBHT-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