General Information of the Compound
| Compound ID |
CP0367164
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| Compound Name |
4-(4-Iodo-phenyl)-butyric acid 3-(1H-imidazol-4-yl)-propyl ester
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| Structure |
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| Formula |
C16H19IN2O2
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| Molecular Weight |
398.244
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| Canonical SMILES |
Ic1ccc(CCCC(=O)OCCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C16H19IN2O2/c17-14-8-6-13(7-9-14)3-1-5-16(20)21-10-2-4-15-11-18-12-19-15/h6-9,11-12H,1-5,10H2,(H,18,19)
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| InChIKey |
YTYOOWFUEIQRHQ-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