General Information of the Compound
| Compound ID |
CP0910705
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| Compound Name |
(6R,7R)-7-(3,4-Dichlorophenyl)-N-methyl-1,4-oxazepane-6-carboxamide monohydrochloride
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| Structure |
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| Formula |
C13H17Cl3N2O2
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| Molecular Weight |
339.65
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| Canonical SMILES |
CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
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| InChI |
InChI=1S/C13H16Cl2N2O2.ClH/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8;/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18);1H/t9-,12+;/m1./s1
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| InChIKey |
JJVNHIVTHFANPP-KATIXKQHSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter