General Information of the Compound
| Compound ID |
CP0494702
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| Compound Name |
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 3-methylthiophene-2-carboxylate
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| Structure |
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| Formula |
C17H20ClNO2S
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| Molecular Weight |
337.872
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| Canonical SMILES |
CN(C)CCC(OC(=O)c1sccc1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H20ClNO2S/c1-12-9-11-22-16(12)17(20)21-15(8-10-19(2)3)13-4-6-14(18)7-5-13/h4-7,9,11,15H,8,10H2,1-3H3
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| InChIKey |
FJVVYMOJOPZBRL-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