General Information of the Compound
| Compound ID |
CP0817944
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| Compound Name |
N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-2,6-dimethylpyrimidine-4-carboxamide Hydrochloride
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| Structure |
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| Formula |
C20H26Cl3N5O
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| Molecular Weight |
458.821
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| Canonical SMILES |
Cc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(C)n1.Cl
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| InChI |
InChI=1S/C20H25Cl2N5O.ClH/c1-14-13-17(25-15(2)24-14)20(28)23-7-4-8-26-9-11-27(12-10-26)18-6-3-5-16(21)19(18)22;/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,28);1H
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| InChIKey |
YCNJXWPDTIPJAE-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