General Information of the Compound
| Compound ID |
CP0664262
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| Compound Name |
N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-6-methyl-2-(methylthio)pyrimidine-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C21H30ClN5OS
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| Molecular Weight |
436.025
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| Canonical SMILES |
CSc1nc(C)cc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)n1.Cl
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| InChI |
InChI=1S/C21H29N5OS.ClH/c1-15-6-5-7-19(17(15)3)26-12-10-25(11-13-26)9-8-22-20(27)18-14-16(2)23-21(24-18)28-4;/h5-7,14H,8-13H2,1-4H3,(H,22,27);1H
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| InChIKey |
JXQLUDIGMMJLLB-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter