General Information of the Compound
| Compound ID |
CP0458987
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| Compound Name |
US9085531, 73
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| Structure |
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| Formula |
C22H19N3S
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| Molecular Weight |
357.482
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| Canonical SMILES |
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cncnc1
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| InChI |
InChI=1S/C22H19N3S/c1-25-12-17-8-15(18-10-23-14-24-11-18)6-7-19(17)20(13-25)22-9-16-4-2-3-5-21(16)26-22/h2-11,14,20H,12-13H2,1H3
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| InChIKey |
HAQQTPCJCLWUMT-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