General Information of the Compound
| Compound ID |
CP0523412
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| Compound Name |
3-[5-(2-Chlorophenyl)-7-trifluoromethyl-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene
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| Structure |
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| Formula |
C22H19ClF3N3O
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| Molecular Weight |
433.861
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| Canonical SMILES |
FC(F)(F)c1cc(cc2nc([nH]c12)C1=NOC2(C1)CCCCC2)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H19ClF3N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
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| InChIKey |
RFGUIBKXEBMLGQ-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