General Information of the Compound
| Compound ID |
CP0413043
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| Compound Name |
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine
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| Structure |
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| Formula |
C20H31ClN2
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| Molecular Weight |
334.935
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| Canonical SMILES |
Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1
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| InChI |
InChI=1S/C20H31ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h4-5,8-9,17-18,22H,1-3,6-7,10-16H2
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| InChIKey |
NOIVROLBMGUARR-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