General Information of the Compound
| Compound ID |
CP0334040
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| Compound Name |
3-(3-chlorophenyl)-2,3,4,7-tetrahydro-1H-azepine
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| Structure |
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| Formula |
C12H14ClN
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| Molecular Weight |
207.704
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| Canonical SMILES |
Clc1cccc(c1)C1CNCC=CC1
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| InChI |
InChI=1S/C12H14ClN/c13-12-6-3-5-10(8-12)11-4-1-2-7-14-9-11/h1-3,5-6,8,11,14H,4,7,9H2
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| InChIKey |
NWTJKIVXQLVNCQ-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter