General Information of the Compound
| Compound ID |
CP0427410
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| Compound Name |
1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(3,5-dichlorophenyl)urea
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| Structure |
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| Formula |
C21H29Cl2N3O
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| Molecular Weight |
410.389
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)c1
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| InChI |
InChI=1S/C21H29Cl2N3O/c22-17-12-18(23)14-20(13-17)25-21(27)24-19-8-10-26(11-9-19)15-16-6-4-2-1-3-5-7-16/h6,12-14,19H,1-5,7-11,15H2,(H2,24,25,27)/b16-6+
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| InChIKey |
MWEGETXRJZIQJZ-OMCISZLKSA-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