General Information of the Compound
| Compound ID |
CP0969636
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| Compound Name |
1-(2,4-Dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4,5-d2
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| Structure |
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| Formula |
C9H4Cl2F3N3
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| Molecular Weight |
284.0642036
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| Canonical SMILES |
[2H]c1nnn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)c1[2H]
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| InChI |
InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H/i3D,4D
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| InChIKey |
XVFXHCLMGYJAQI-NMQOAUCRSA-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