General Information of the Compound
| Compound ID |
CP0942774
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| Compound Name |
4-[5-(4-Cyano-2-fluorophenyl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C24H24FN3O3
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| Molecular Weight |
421.472
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C#N)cc4F)ncc3o2)CC1
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| InChI |
InChI=1S/C24H24FN3O3/c1-24(2,3)31-23(29)28-8-6-16(7-9-28)21-12-17-11-20(27-14-22(17)30-21)18-5-4-15(13-26)10-19(18)25/h4-5,10-12,14,16H,6-9H2,1-3H3
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| InChIKey |
IGCNETPUQDKPDH-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