General Information of the Compound
| Compound ID |
CP0422702
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| Compound Name |
N-[2-[(2S)-2-[2-(cyclopropylamino)-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C21H22N4O4
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| Molecular Weight |
394.431
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| Canonical SMILES |
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NC1CC1
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| InChI |
InChI=1S/C21H22N4O4/c26-18(25-11-3-6-17(25)19(27)21(29)24-13-7-8-13)12-23-20(28)15-9-10-22-16-5-2-1-4-14(15)16/h1-2,4-5,9-10,13,17H,3,6-8,11-12H2,(H,23,28)(H,24,29)/t17-/m0/s1
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| InChIKey |
UWWNVTQYDDYRFC-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