General Information of the Compound
| Compound ID |
CP0570593
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| Compound Name |
methyl 2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]propanoate
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| Formula |
C22H24N4O6
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| Molecular Weight |
440.456
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| Canonical SMILES |
COC(=O)C(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C22H24N4O6/c1-13(22(31)32-2)25-21(30)19(28)17-8-5-11-26(17)18(27)12-24-20(29)15-9-10-23-16-7-4-3-6-14(15)16/h3-4,6-7,9-10,13,17H,5,8,11-12H2,1-2H3,(H,24,29)(H,25,30)/t13?,17-/m0/s1
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| InChIKey |
QQRHSZYLLPEVMX-RUINGEJQSA-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