General Information of the Compound
| Compound ID |
CP0443612
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| Compound Name |
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)methanesulfonamide
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| Structure |
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| Formula |
C16H20N2O2S
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| Molecular Weight |
304.415
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| Canonical SMILES |
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1
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| InChI |
InChI=1S/C16H20N2O2S/c1-21(19,20)18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m1/s1
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| InChIKey |
MOEMPBAHOJKXBG-MRXNPFEDSA-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
Protein ID: PT00871, Sodium-dependent serotonin transporter