General Information of the Compound
| Compound ID |
CP0427822
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| Compound Name |
1-(3-acetylphenyl)-3-(1-(cyclooctenylmethyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C23H33N3O2
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| Molecular Weight |
383.536
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)c1
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| InChI |
InChI=1S/C23H33N3O2/c1-18(27)20-10-7-11-22(16-20)25-23(28)24-21-12-14-26(15-13-21)17-19-8-5-3-2-4-6-9-19/h7-8,10-11,16,21H,2-6,9,12-15,17H2,1H3,(H2,24,25,28)/b19-8+
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| InChIKey |
AKAXDXMSNRGJRD-UFWORHAWSA-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