General Information of the Compound
| Compound ID |
CP0454707
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| Compound Name |
tert-butyl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)c2cc3ccncc3o2)CC1
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| InChI |
InChI=1S/C21H27N3O4/c1-20(2,3)28-19(26)24-8-5-21(6-9-24)11-15(21)12-23-18(25)16-10-14-4-7-22-13-17(14)27-16/h4,7,10,13,15H,5-6,8-9,11-12H2,1-3H3,(H,23,25)
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| InChIKey |
LXFQOWJBLSTFMH-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