General Information of the Compound
| Compound ID |
CP0963853
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| Compound Name |
(Z)-pyrrolidin-2-ylmethyl 3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C16H17ClN4O2
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| Molecular Weight |
332.791
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| Canonical SMILES |
O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OCC1CCCN1
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| InChI |
InChI=1S/C16H17ClN4O2/c17-13-4-1-3-12(9-13)16-19-11-21(20-16)8-6-15(22)23-10-14-5-2-7-18-14/h1,3-4,6,8-9,11,14,18H,2,5,7,10H2/b8-6-
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| InChIKey |
OIQDJOKBTBWUSD-VURMDHGXSA-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