General Information of the Compound
| Compound ID |
CP0435138
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| Compound Name |
methyl 3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
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| Structure |
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| Formula |
C20H19N3O3
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| Molecular Weight |
349.39
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| Canonical SMILES |
COC(=O)C(Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C20H19N3O3/c1-26-20(25)18(13-23-12-11-21-14-23)22-19(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,18H,13H2,1H3,(H,22,24)
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| InChIKey |
BGJLLVCRNMWTNA-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