General Information of the Compound
| Compound ID |
CP0375853
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| Compound Name |
3-phenyl-1-(2-piperidin-3-ylethyl)-2lambda6,1,3-benzothiadiazole 2,2-dioxide
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| Structure |
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| Formula |
C19H23N3O2S
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| Molecular Weight |
357.479
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| Canonical SMILES |
O=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
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| InChI |
InChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2
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| InChIKey |
HXPJUTFPDVBIKT-UHFFFAOYSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter