General Information of the Compound
| Compound ID |
CP0492031
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| Compound Name |
ethyl 6-(morpholin-4-ylmethyl)-4-(2-nitrophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C21H23N5O5S
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| Molecular Weight |
457.512
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccccc1[N+]([O-])=O)c1nccs1
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| InChI |
InChI=1S/C21H23N5O5S/c1-2-31-21(27)17-15(13-25-8-10-30-11-9-25)23-19(20-22-7-12-32-20)24-18(17)14-5-3-4-6-16(14)26(28)29/h3-7,12,18H,2,8-11,13H2,1H3,(H,23,24)
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| InChIKey |
CJBRXGBXOTZUOY-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: PT00295, Capsid protein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2