General Information of the Compound
| Compound ID |
CP0552717
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| Compound Name |
N-[2-oxo-2-[(2S)-2-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]acetyl]pyrrolidin-1-yl]ethyl]quinoline-4-carboxamide
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| Formula |
C22H23N5O6
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| Molecular Weight |
453.455
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| Canonical SMILES |
O=CCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C22H23N5O6/c28-11-9-24-18(29)12-25-22(33)20(31)17-6-3-10-27(17)19(30)13-26-21(32)15-7-8-23-16-5-2-1-4-14(15)16/h1-2,4-5,7-8,11,17H,3,6,9-10,12-13H2,(H,24,29)(H,25,33)(H,26,32)/t17-/m0/s1
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| InChIKey |
GCPZFMXELHJWEF-KRWDZBQOSA-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