General Information of the Compound
| Compound ID |
CP0422079
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| Compound Name |
2-aminobenzimidazole-based compound, 14
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| Structure |
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| Formula |
C22H23F3N4O2
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| Molecular Weight |
432.446
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| Canonical SMILES |
CN(C1CCOC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C22H23F3N4O2/c1-29(17-10-11-31-13-17)21-27-18-8-7-16(12-19(18)28-21)26-20(30)9-4-14-2-5-15(6-3-14)22(23,24)25/h2-3,5-8,12,17H,4,9-11,13H2,1H3,(H,26,30)(H,27,28)
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| InChIKey |
SERMJUONYNLZRA-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