General Information of the Compound
| Compound ID |
CP0046035
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| Compound Name |
N-[3-[4-(4-chlorophenyl)phenyl]propyl]-4-(piperidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C27H31ClN2
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| Molecular Weight |
419.012
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C27H31ClN2/c28-26-14-12-25(13-15-26)24-10-6-22(7-11-24)5-4-18-29-27-16-8-23(9-17-27)21-30-19-2-1-3-20-30/h6-17,29H,1-5,18-21H2
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| InChIKey |
KFIBFLUHCJZUTE-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