General Information of the Compound
| Compound ID |
CP0444775
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| Compound Name |
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride
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| Structure |
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| Formula |
C15H21Cl3N2O2
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| Molecular Weight |
367.704
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| Canonical SMILES |
Cl.CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C15H20Cl2N2O2.ClH/c1-2-14(20)19-9-11-8-18-5-6-21-15(11)10-3-4-12(16)13(17)7-10;/h3-4,7,11,15,18H,2,5-6,8-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1
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| InChIKey |
XBSKGSWBOBJPLU-JDOFTSHGSA-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