General Information of the Compound
| Compound ID |
CP0500784
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| Compound Name |
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-(trideuteriomethoxy)acetamide;hydrochloride
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| Formula |
C15H21Cl2FN2O3
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| Molecular Weight |
370.2663053
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| Canonical SMILES |
Cl.[2H]C([2H])([2H])OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C15H20ClFN2O3.ClH/c1-21-9-14(20)19-8-11-7-18-4-5-22-15(11)10-2-3-12(16)13(17)6-10;/h2-3,6,11,15,18H,4-5,7-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1/i1D3;
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| InChIKey |
PFKJVWIMJKFOGW-GSBCXTGCSA-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