General Information of the Compound
| Compound ID |
CP0377260
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| Compound Name |
1-(4-(4-(2-sec-butoxy-5-(methylsulfonyl)benzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
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| Structure |
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| Formula |
C24H29FN2O5S
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| Molecular Weight |
476.57
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| Canonical SMILES |
CCC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C24H29FN2O5S/c1-5-16(2)32-23-9-7-19(33(4,30)31)15-20(23)24(29)27-12-10-26(11-13-27)22-8-6-18(17(3)28)14-21(22)25/h6-9,14-16H,5,10-13H2,1-4H3
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| InChIKey |
HZNSVSMNJYPZPC-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2