General Information of the Compound
| Compound ID |
CP0549187
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| Compound Name |
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]aniline
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| Structure |
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| Formula |
C25H25N3
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| Molecular Weight |
367.496
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\c2nc3cc(ccc3[nH]2)-c2ccccc2N)cc1
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| InChI |
InChI=1S/C25H25N3/c1-25(2,3)19-12-8-17(9-13-19)10-15-24-27-22-14-11-18(16-23(22)28-24)20-6-4-5-7-21(20)26/h4-16H,26H2,1-3H3,(H,27,28)/b15-10+
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| InChIKey |
XHARVNDXBPUMDR-XNTDXEJSSA-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