General Information of the Compound
| Compound ID |
CP0848601
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| Compound Name |
(Z)-tetrahydro-2H-pyran-4-yl 3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C16H16ClN3O3
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| Molecular Weight |
333.775
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| Canonical SMILES |
O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC1CCOCC1
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| InChI |
InChI=1S/C16H16ClN3O3/c17-13-3-1-2-12(10-13)16-18-11-20(19-16)7-4-15(21)23-14-5-8-22-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2/b7-4-
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| InChIKey |
JNBWOHPBRUBVOQ-DAXSKMNVSA-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