General Information of the Compound
| Compound ID |
CP0379075
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| Compound Name |
[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate
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| Structure |
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| Formula |
C21H28N2O5
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| Molecular Weight |
388.464
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| Canonical SMILES |
OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
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| InChI |
InChI=1S/C21H28N2O5/c24-13-16(25)12-22-9-6-15(7-10-22)14-28-21(26)19-17-4-1-2-5-18(17)23-8-3-11-27-20(19)23/h1-2,4-5,15-16,24-25H,3,6-14H2
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| InChIKey |
DRENIAATVFLPKC-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
Protein ID: PT01307, 5-hydroxytryptamine receptor 4
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2