General Information of the Compound
| Compound ID |
CP0483271
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| Compound Name |
US9085531, 142
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| Structure |
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| Formula |
C25H28N2O
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| Molecular Weight |
372.512
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| Canonical SMILES |
CC1NOC(C)C1c1ccc2C(CN(C)Cc2c1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H28N2O/c1-16-25(17(2)28-26-16)21-10-11-23-22(13-21)14-27(3)15-24(23)20-9-8-18-6-4-5-7-19(18)12-20/h4-13,16-17,24-26H,14-15H2,1-3H3
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| InChIKey |
CQTQIPQVYQLOGC-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