General Information of the Compound
| Compound ID |
CP0444482
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| Compound Name |
N-[2-oxo-2-[(2S)-2-[2-oxo-2-(2-phenylethylamino)acetyl]pyrrolidin-1-yl]ethyl]quinoline-4-carboxamide
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| Formula |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C26H26N4O4/c31-23(17-29-25(33)20-13-15-27-21-10-5-4-9-19(20)21)30-16-6-11-22(30)24(32)26(34)28-14-12-18-7-2-1-3-8-18/h1-5,7-10,13,15,22H,6,11-12,14,16-17H2,(H,28,34)(H,29,33)/t22-/m0/s1
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| InChIKey |
ACYWESVNYSSOJX-QFIPXVFZSA-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