General Information of the Compound
| Compound ID |
CP0507711
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| Compound Name |
ethyl 4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H24N4O4
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| Molecular Weight |
396.447
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C21H24N4O4/c1-2-29-21(28)25-13-11-24(12-14-25)19(26)15-22-20(27)18-10-6-9-17(23-18)16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3,(H,22,27)
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| InChIKey |
HCDSRITYTOMALO-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