General Information of the Compound
| Compound ID |
CP0444485
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| Compound Name |
methyl 2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetate
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| Formula |
C21H22N4O6
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| Molecular Weight |
426.429
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| Canonical SMILES |
COC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C21H22N4O6/c1-31-18(27)12-24-21(30)19(28)16-7-4-10-25(16)17(26)11-23-20(29)14-8-9-22-15-6-3-2-5-13(14)15/h2-3,5-6,8-9,16H,4,7,10-12H2,1H3,(H,23,29)(H,24,30)/t16-/m0/s1
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| InChIKey |
CYLXSXGKMGMDKH-INIZCTEOSA-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