General Information of the Compound
| Compound ID |
CP0422624
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| Compound Name |
ethyl 3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
CCOC(=O)C(Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H21N3O3/c1-2-27-21(26)19(14-24-13-12-22-15-24)23-20(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15,19H,2,14H2,1H3,(H,23,25)
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| InChIKey |
SNBSGSLUOLPOGH-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