General Information of the Compound
| Compound ID |
CP0400413
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| Compound Name |
1-(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C24H29ClN2O2S
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| Molecular Weight |
445.028
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| Canonical SMILES |
CC(=O)N1CCc2sc(cc2C1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H29ClN2O2S/c1-17(28)27-14-10-23-20(16-27)15-24(30-23)22(29)3-2-11-26-12-8-19(9-13-26)18-4-6-21(25)7-5-18/h4-7,15,19H,2-3,8-14,16H2,1H3
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| InChIKey |
FSJQUAGEBVKGNR-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