General Information of the Compound
| Compound ID |
CP0894748
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| Compound Name |
(Z)-azetidin-3-yl 3-(3-(2,6-dichloropyridin-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C13H11Cl2N5O2
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| Molecular Weight |
340.17
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| Canonical SMILES |
O=C(/C=C\n1cnc(-c2cc(Cl)nc(Cl)c2)n1)OC1CNC1
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| InChI |
InChI=1S/C13H11Cl2N5O2/c14-10-3-8(4-11(15)18-10)13-17-7-20(19-13)2-1-12(21)22-9-5-16-6-9/h1-4,7,9,16H,5-6H2/b2-1-
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| InChIKey |
HXLFVLHBVCCMBZ-UPHRSURJSA-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