General Information of the Compound
| Compound ID |
CP0411825
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| Compound Name |
4-[4-(2-Cyclobutoxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-3-fluoro-benzonitrile
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| Structure |
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| Formula |
C23H24FN3O4S
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| Molecular Weight |
457.527
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| Canonical SMILES |
CS(=O)(=O)c1ccc(OC2CCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C23H24FN3O4S/c1-32(29,30)18-6-8-22(31-17-3-2-4-17)19(14-18)23(28)27-11-9-26(10-12-27)21-7-5-16(15-25)13-20(21)24/h5-8,13-14,17H,2-4,9-12H2,1H3
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| InChIKey |
FAANYHOWOLYOBE-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