General Information of the Compound
| Compound ID |
CP0387612
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| Compound Name |
2-aminobenzimidazole-based compound, 17
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| Structure |
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| Formula |
C25H29F3N4O
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| Molecular Weight |
458.528
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| Canonical SMILES |
CCN(C1CCCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C25H29F3N4O/c1-2-32(20-6-4-3-5-7-20)24-30-21-14-13-19(16-22(21)31-24)29-23(33)15-10-17-8-11-18(12-9-17)25(26,27)28/h8-9,11-14,16,20H,2-7,10,15H2,1H3,(H,29,33)(H,30,31)
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| InChIKey |
PWFJIBPQJQUEFB-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