General Information of the Compound
| Compound ID |
CP0913911
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| Compound Name |
(E)-3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)acrylonitrile
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| Structure |
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| Formula |
C11H7ClN4
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| Molecular Weight |
230.658
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| Canonical SMILES |
N#C/C=C/n1cnc(-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C11H7ClN4/c12-10-4-1-3-9(7-10)11-14-8-16(15-11)6-2-5-13/h1-4,6-8H/b6-2+
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| InChIKey |
YWGXCTCLIWNYDN-QHHAFSJGSA-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