General Information of the Compound
| Compound ID |
CP0961966
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| Compound Name |
4-[5-(2-Fluoro-4-methanesulfonylphenyl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid isopropyl ester
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| Structure |
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| Formula |
C23H25FN2O5S
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| Molecular Weight |
460.527
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
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| InChI |
InChI=1S/C23H25FN2O5S/c1-14(2)30-23(27)26-8-6-15(7-9-26)21-11-16-10-20(25-13-22(16)31-21)18-5-4-17(12-19(18)24)32(3,28)29/h4-5,10-15H,6-9H2,1-3H3
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| InChIKey |
UZPVZCMFUIHSLF-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