General Information of the Compound
| Compound ID |
CP0417939
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| Compound Name |
N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine
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| Structure |
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| Formula |
C10H11ClN4
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| Molecular Weight |
222.679
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| Canonical SMILES |
CCc1cc(Nc2cnn[nH]2)ccc1Cl
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| InChI |
InChI=1S/C10H11ClN4/c1-2-7-5-8(3-4-9(7)11)13-10-6-12-15-14-10/h3-6H,2H2,1H3,(H2,12,13,14,15)
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| InChIKey |
TYTBURQNAQDBPH-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