General Information of the Compound
| Compound ID |
CP0417058
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| Compound Name |
methyl N-[2-tert-butyl-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]carbamate
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
COC(=O)Nc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)ccc1C(C)(C)C
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| InChI |
InChI=1S/C22H23N3O4/c1-22(2,3)16-10-9-13(11-18(16)25-21(28)29-4)24-20(27)15-12-23-17-8-6-5-7-14(17)19(15)26/h5-12H,1-4H3,(H,23,26)(H,24,27)(H,25,28)
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| InChIKey |
AVVSAXDYLAXTFZ-UHFFFAOYSA-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