General Information of the Compound
| Compound ID |
CP0866145
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| Compound Name |
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid isopropyl ester
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| Structure |
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| Formula |
C22H29N3O5S
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| Molecular Weight |
447.557
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(c2cc3cc(C4=CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
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| InChI |
InChI=1S/C22H29N3O5S/c1-15(2)29-22(26)24-8-4-17(5-9-24)20-13-18-12-19(23-14-21(18)30-20)16-6-10-25(11-7-16)31(3,27)28/h6,12-15,17H,4-5,7-11H2,1-3H3
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| InChIKey |
CBEKGCPNMKVELD-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