General Information of the Compound
| Compound ID |
CP0439259
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| Compound Name |
4-(2-(6-phenylpicolinamido)acetyl)piperazin-1-yl propionate
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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 |
CCC(=O)ON1CCN(CC1)C(=O)CNC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C21H24N4O4/c1-2-20(27)29-25-13-11-24(12-14-25)19(26)15-22-21(28)18-10-6-9-17(23-18)16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3,(H,22,28)
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| InChIKey |
YRQZQDNLNUWZOK-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