General Information of the Compound
| Compound ID |
CP0486696
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| Compound Name |
1-(2-(2-chlorophenyl)-1-phenylethyl)-1,4-diazepane
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| Structure |
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| Formula |
C19H23ClN2
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| Molecular Weight |
314.86
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| Canonical SMILES |
Clc1ccccc1CC(N1CCCNCC1)c1ccccc1
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| InChI |
InChI=1S/C19H23ClN2/c20-18-10-5-4-9-17(18)15-19(16-7-2-1-3-8-16)22-13-6-11-21-12-14-22/h1-5,7-10,19,21H,6,11-15H2
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| InChIKey |
ZASFISMVWZDDES-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter