General Information of the Compound
| Compound ID |
CP0471073
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| Compound Name |
N-[2-[(2S)-2-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C23H28N4O4
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| Molecular Weight |
424.501
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| Canonical SMILES |
CC(C)(C)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C23H28N4O4/c1-23(2,3)14-26-22(31)20(29)18-9-6-12-27(18)19(28)13-25-21(30)16-10-11-24-17-8-5-4-7-15(16)17/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,25,30)(H,26,31)/t18-/m0/s1
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| InChIKey |
AWLWDUDSRAMHCE-SFHVURJKSA-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