General Information of the Compound
| Compound ID |
CP0422701
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| Compound Name |
methyl 4-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]benzoate
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| Formula |
C26H24N4O6
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| Molecular Weight |
488.5
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1
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| InChI |
InChI=1S/C26H24N4O6/c1-36-26(35)16-8-10-17(11-9-16)29-25(34)23(32)21-7-4-14-30(21)22(31)15-28-24(33)19-12-13-27-20-6-3-2-5-18(19)20/h2-3,5-6,8-13,21H,4,7,14-15H2,1H3,(H,28,33)(H,29,34)/t21-/m0/s1
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| InChIKey |
WJVFWJBYVQKOCW-NRFANRHFSA-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