General Information of the Compound
| Compound ID |
CP0455888
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| Compound Name |
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
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| Structure |
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| Formula |
C20H19ClN4O4
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| Molecular Weight |
414.849
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| Canonical SMILES |
Clc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
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| InChI |
InChI=1S/C20H19ClN4O4/c21-14-3-1-13(2-4-14)12-24-7-9-25(10-8-24)19(27)18(26)22-15-5-6-16-17(11-15)29-20(28)23-16/h1-6,11H,7-10,12H2,(H,22,26)(H,23,28)
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| InChIKey |
JTJNSDDAXJHYNG-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