General Information of the Compound
| Compound ID |
CP0569598
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| Compound Name |
4-bromo-1-(cyclopropylmethyl)-6-(trifluoromethyl)benzotriazole
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| Structure |
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| Formula |
C11H9BrF3N3
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| Molecular Weight |
320.112
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| Canonical SMILES |
FC(F)(F)c1cc(Br)c2nnn(CC3CC3)c2c1
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| InChI |
InChI=1S/C11H9BrF3N3/c12-8-3-7(11(13,14)15)4-9-10(8)16-17-18(9)5-6-1-2-6/h3-4,6H,1-2,5H2
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| InChIKey |
KOFDOVWPZWDRAH-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