General Information of the Compound
| Compound ID |
CP0574501
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine
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| Structure |
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| Formula |
C17H23ClN4
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| Molecular Weight |
318.852
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| Canonical SMILES |
Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1
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| InChI |
InChI=1S/C17H23ClN4/c18-17-4-2-1-3-15(17)12-22-7-5-14(6-8-22)9-19-10-16-11-20-13-21-16/h1-4,11,13-14,19H,5-10,12H2,(H,20,21)
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| InChIKey |
LKJIPJRIGSWFNY-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