General Information of the Compound
| Compound ID |
CP0497438
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| Compound Name |
4-[3-(4-Cyano-phenyl)-ureido]-N-(2-diethylamino-ethyl)-2-methoxy-benzamide
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1OC
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| InChI |
InChI=1S/C22H27N5O3/c1-4-27(5-2)13-12-24-21(28)19-11-10-18(14-20(19)30-3)26-22(29)25-17-8-6-16(15-23)7-9-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H2,25,26,29)
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| InChIKey |
JINUPRHVGIYHRQ-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