General Information of the Compound
| Compound ID |
CP0538207
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| Compound Name |
US9085531, 135
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| Structure |
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| Formula |
C17H16N2S
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| Molecular Weight |
280.396
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| Canonical SMILES |
CN1CC(c2ccc3sncc3c2)c2ccccc2C1
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| InChI |
InChI=1S/C17H16N2S/c1-19-10-13-4-2-3-5-15(13)16(11-19)12-6-7-17-14(8-12)9-18-20-17/h2-9,16H,10-11H2,1H3
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| InChIKey |
NUMHOXGZNHJTHF-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter