General Information of the Compound
| Compound ID |
CP0845009
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| Compound Name |
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-6-methyl-2-(methylthio)pyrimidine-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C22H32ClN5OS
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| Molecular Weight |
450.052
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| Canonical SMILES |
CSc1nc(C)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)n1.Cl
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| InChI |
InChI=1S/C22H31N5OS.ClH/c1-16-7-5-8-20(18(16)3)27-13-11-26(12-14-27)10-6-9-23-21(28)19-15-17(2)24-22(25-19)29-4;/h5,7-8,15H,6,9-14H2,1-4H3,(H,23,28);1H
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| InChIKey |
PHBCBKHRAVBVOI-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