General Information of the Compound
| Compound ID |
CP0845008
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| Compound Name |
N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C22H32ClN5O2
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| Molecular Weight |
433.984
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| Canonical SMILES |
COc1c(C)nc(C)nc1C(=O)NCCN1CCN(c2cccc(C)c2C)CC1.Cl
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| InChI |
InChI=1S/C22H31N5O2.ClH/c1-15-7-6-8-19(16(15)2)27-13-11-26(12-14-27)10-9-23-22(28)20-21(29-5)17(3)24-18(4)25-20;/h6-8H,9-14H2,1-5H3,(H,23,28);1H
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| InChIKey |
UNSFBRHQHPUNOY-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