General Information of the Compound
| Compound ID |
CP0405575
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| Compound Name |
4-[4-(2-Cyclohexylmethoxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-3-fluoro-benzonitrile
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| Structure |
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| Formula |
C26H30FN3O4S
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| Molecular Weight |
499.608
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| Canonical SMILES |
CS(=O)(=O)c1ccc(OCC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C26H30FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h7-10,15-16,19H,2-6,11-14,18H2,1H3
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| InChIKey |
CWDZSGNFNAZTGZ-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