General Information of the Compound
| Compound ID |
CP0387611
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| Compound Name |
2-aminobenzimidazole-based compound, 12
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| Structure |
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| Formula |
C23H25F3N4O
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| Molecular Weight |
430.474
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| Canonical SMILES |
CN(C1CCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C23H25F3N4O/c1-30(18-4-2-3-5-18)22-28-19-12-11-17(14-20(19)29-22)27-21(31)13-8-15-6-9-16(10-7-15)23(24,25)26/h6-7,9-12,14,18H,2-5,8,13H2,1H3,(H,27,31)(H,28,29)
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| InChIKey |
WMKQOFZKQKGZAQ-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