General Information of the Compound
| Compound ID |
CP0417278
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| Compound Name |
(1-Butylpiperidin-4-yl)methyl 8-amino-7-cyano-2,3-dihydrobenzo-[b][1,4]dioxine-5-carboxylate
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| Structure |
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| Formula |
C20H27N3O4
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| Molecular Weight |
373.453
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| Canonical SMILES |
CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
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| InChI |
InChI=1S/C20H27N3O4/c1-2-3-6-23-7-4-14(5-8-23)13-27-20(24)16-11-15(12-21)17(22)19-18(16)25-9-10-26-19/h11,14H,2-10,13,22H2,1H3
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| InChIKey |
KLJXEYLHIBONBN-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