General Information of the Compound
| Compound ID |
CP0507565
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| Compound Name |
prop-2-ynyl N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]carbamate
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| Structure |
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| Formula |
C18H11ClF3N3O2
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| Molecular Weight |
393.752
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| Canonical SMILES |
FC(F)(F)c1ccc2nc([nH]c2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
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| InChI |
InChI=1S/C18H11ClF3N3O2/c1-2-7-27-17(26)23-11-4-5-13(19)12(9-11)16-24-14-6-3-10(18(20,21)22)8-15(14)25-16/h1,3-6,8-9H,7H2,(H,23,26)(H,24,25)
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| InChIKey |
VYPHLXZNERUNGJ-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