General Information of the Compound
| Compound ID |
CP0506555
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| Compound Name |
2-aminobenzimidazole-based compound, 19
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| Structure |
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| Formula |
C20H22F3N5O
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| Molecular Weight |
405.424
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| Canonical SMILES |
CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(cn3)C(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C20H22F3N5O/c1-12(2)28(3)19-26-16-8-6-15(10-17(16)27-19)25-18(29)9-7-14-5-4-13(11-24-14)20(21,22)23/h4-6,8,10-12H,7,9H2,1-3H3,(H,25,29)(H,26,27)
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| InChIKey |
WJVVLFLZZWTTAS-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