General Information of the Compound
| Compound ID |
CP0435211
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| Compound Name |
N-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methyl]aniline
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
C(Nc1ccccc1)c1nc2c(OCC3CCCCC3)cccc2[nH]1
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| InChI |
InChI=1S/C21H25N3O/c1-3-8-16(9-4-1)15-25-19-13-7-12-18-21(19)24-20(23-18)14-22-17-10-5-2-6-11-17/h2,5-7,10-13,16,22H,1,3-4,8-9,14-15H2,(H,23,24)
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| InChIKey |
AVYKSWTWJAMSLU-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