General Information of the Compound
| Compound ID |
CP0917019
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| Compound Name |
((6S,7R)-7-(3,4-Dichlorophenyl)-1,4-oxazepan-6-yl)methanol monohydrochloride
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| Structure |
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| Formula |
C12H16Cl3NO2
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| Molecular Weight |
312.624
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| Canonical SMILES |
Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C12H15Cl2NO2.ClH/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12;/h1-2,5,9,12,15-16H,3-4,6-7H2;1H/t9-,12-;/m0./s1
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| InChIKey |
WDNXRQXGZIPADY-CSDGMEMJSA-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