General Information of the Compound
| Compound ID |
CP0963529
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| Compound Name |
4-[5-(4-Ethylcarbamoylphenyl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
CCNC(=O)c1ccc(-c2cc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)oc3cn2)cc1
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| InChI |
InChI=1S/C26H31N3O4/c1-5-27-24(30)19-8-6-17(7-9-19)21-14-20-15-22(32-23(20)16-28-21)18-10-12-29(13-11-18)25(31)33-26(2,3)4/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,27,30)
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| InChIKey |
WHGLBECOICTDAO-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