General Information of the Compound
| Compound ID |
CP0454228
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| Compound Name |
2-aminobenzimidazole, 6
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| Structure |
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| Formula |
C21H13ClF3N5O
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| Molecular Weight |
443.816
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2nc3ccc(Oc4ccnc5[nH]ccc45)cc3[nH]2)ccc1Cl
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| InChI |
InChI=1S/C21H13ClF3N5O/c22-15-3-1-11(9-14(15)21(23,24)25)28-20-29-16-4-2-12(10-17(16)30-20)31-18-6-8-27-19-13(18)5-7-26-19/h1-10H,(H,26,27)(H2,28,29,30)
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| InChIKey |
PKKYJYFGTICOFP-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