General Information of the Compound
| Compound ID |
CP0491049
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| Compound Name |
2-aminobenzimidazole-based compound, 15
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| Structure |
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| Formula |
C24H26F3N5O2
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| Molecular Weight |
473.499
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| Canonical SMILES |
CN(C1CCN(C1)C(C)=O)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C24H26F3N5O2/c1-15(33)32-12-11-19(14-32)31(2)23-29-20-9-8-18(13-21(20)30-23)28-22(34)10-5-16-3-6-17(7-4-16)24(25,26)27/h3-4,6-9,13,19H,5,10-12,14H2,1-2H3,(H,28,34)(H,29,30)
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| InChIKey |
LGEVUDUJGOEUQL-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