General Information of the Compound
| Compound ID |
CP0496464
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| Compound Name |
2-aminobenzimidazole-based compound, 18
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| Structure |
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| Formula |
C21H21F3N4O2
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| Molecular Weight |
418.419
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc([nH]c3c2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C21H21F3N4O2/c22-21(23,24)15-4-1-14(2-5-15)3-8-19(29)25-16-6-7-17-18(13-16)27-20(26-17)28-9-11-30-12-10-28/h1-2,4-7,13H,3,8-12H2,(H,25,29)(H,26,27)
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| InChIKey |
CZAJGZOLIKJIHX-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