General Information of the Compound
| Compound ID |
CP0521454
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
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| Structure |
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| Formula |
C19H24ClN3
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| Molecular Weight |
329.875
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| Canonical SMILES |
Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1
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| InChI |
InChI=1S/C19H24ClN3/c20-19-6-2-1-5-18(19)15-23-10-7-16(8-11-23)12-22-14-17-4-3-9-21-13-17/h1-6,9,13,16,22H,7-8,10-12,14-15H2
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| InChIKey |
QSDJJIRLYKKACF-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