General Information of the Compound
| Compound ID |
CP0495210
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| Compound Name |
1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine
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| Structure |
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| Formula |
C21H30ClFN2
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| Molecular Weight |
364.936
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CC1)NC\C1=C\CCCCCC1
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| InChI |
InChI=1S/C21H30ClFN2/c22-19-9-8-18(21(23)14-19)16-25-12-10-20(11-13-25)24-15-17-6-4-2-1-3-5-7-17/h6,8-9,14,20,24H,1-5,7,10-13,15-16H2/b17-6+
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| InChIKey |
YJVLVRJBNDZAOW-UBKPWBPPSA-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