General Information of the Compound
| Compound ID |
CP0424247
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| Compound Name |
5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol
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| Structure |
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| Formula |
C20H31N3O2
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| Molecular Weight |
345.487
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| Canonical SMILES |
OCCCCCNCc1nc2c(OCC3CCCCC3)cccc2[nH]1
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| InChI |
InChI=1S/C20H31N3O2/c24-13-6-2-5-12-21-14-19-22-17-10-7-11-18(20(17)23-19)25-15-16-8-3-1-4-9-16/h7,10-11,16,21,24H,1-6,8-9,12-15H2,(H,22,23)
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| InChIKey |
WCVDLXXGVCJHLW-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