General Information of the Compound
| Compound ID |
CP0400709
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| Compound Name |
N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
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| Structure |
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| Formula |
C27H24FN5O3
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| Molecular Weight |
485.519
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc([nH]c3c2)[C@H](COCc2ccccc2)NC(=O)Cc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33)/t25-/m0/s1
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| InChIKey |
UMQPSIJUDQZAGS-VWLOTQADSA-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