General Information of the Compound
| Compound ID |
CP0444483
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| Compound Name |
N-[2-oxo-2-[(2S)-2-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrolidin-1-yl]ethyl]quinoline-4-carboxamide
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| Formula |
C21H24N4O4
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| Molecular Weight |
396.447
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| Canonical SMILES |
CC(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C21H24N4O4/c1-13(2)24-21(29)19(27)17-8-5-11-25(17)18(26)12-23-20(28)15-9-10-22-16-7-4-3-6-14(15)16/h3-4,6-7,9-10,13,17H,5,8,11-12H2,1-2H3,(H,23,28)(H,24,29)/t17-/m0/s1
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| InChIKey |
TUWOOVNECIJIMV-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